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Phenylacetyl fluoride - Compound Summary (CID 642641)

Depositor-Supplied Synonyms: (Total: 4)
Sort:
Phenylacetyl fluoride
benzeneacetyl fluoride
CID642641
InChI=1/C8H7FO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H


Properties Computed from Structure:
Molecular Weight138.138983 [g/mol]
Molecular FormulaC8H7FO
XLogP31.9
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count2
Exact Mass138.048093
MonoIsotopic Mass138.048093
Topological Polar Surface Area17.1
Heavy Atom Count10
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 2-phenylacetyl fluoride
Canonical SMILES: C1=CC=C(C=C1)CC(=O)F
InChI: InChI=1S/C8H7FO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: KYSUNLMCQCEICR-UHFFFAOYSA-N


Compound Information:
CID 642641   
Create Date: 2006-01-25


Similar Compounds: 134 Links
Similar Conformers: 12449 Links    View Conformers


Substance Information:
Substances: 5 Links

Category: [for same structure substances]
Biological Properties: 2 Links
   DiscoveryGate ( 1 )
SID 8706608 - External ID: 642641
   NextBio ( 1 )
SID 51637504 - External ID: 642641

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 15898327 - External ID: 01546813

Physical Properties: 1 Link
   NMRShiftDB ( 1 )
SID 595820 - External ID: 20027191

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 43764525 - External ID: 557835
     

2D

3D
Compound ID642641
Molecular Weight138.138983 [g/mol]
Molecular FormulaC8H7FO
XLogP31.9
H-Bond Donor0
H-Bond Acceptor2


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