5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile

C15H9ClFNO — CID 146010108

IUPAC5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile
SMILESN#Cc1cc(C(=O)C(Cl)c2ccccc2)ccc1F
InChIInChI=1S/C15H9ClFNO/c16-14(10-4-2-1-3-5-10)15(19)11-6-7-13(17)12(8-11)9-18/h1-8,14H
InChIKeyXQNHYZKEFCDQRY-UHFFFAOYSA-N
MW273.69 g/mol
LogP3.86
Rot. Bonds3

About 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile

5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile (PubChem CID 146010108) has the molecular formula C15H9ClFNO and a molecular weight of 273.69 g/mol. Its IUPAC name is 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile
PubChem CID146010108
Molecular FormulaC15H9ClFNO
Molecular Weight273.69 g/mol
Exact Mass273.04
IUPAC Name5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile
SMILESN#Cc1cc(C(=O)C(Cl)c2ccccc2)ccc1F
InChIInChI=1S/C15H9ClFNO/c16-14(10-4-2-1-3-5-10)15(19)11-6-7-13(17)12(8-11)9-18/h1-8,14H
InChIKeyXQNHYZKEFCDQRY-UHFFFAOYSA-N
XLogP3.86
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
CID 107957005
bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))
CID 173117282
4-(3-cyano-4-fluorophenyl)-3-methyl-4-oxobutanoic acid
CID 107936552
3-(3-chloro-4-fluorophenyl)-3-oxo-2-phenylpropanenitrile
CID 82875579
2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 82875870
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
CID 81235854
3-cyano-4-fluorobenzamide
CID 68505906
1-(3-bromo-4-chlorophenyl)-2-chloro-2-phenylethanone
CID 107988714
2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
3-cyano-4-fluorobenzohydrazide
CID 59234832
5-[(2S)-2-amino-4-methylsulfanylbutanoyl]-2-fluorobenzonitrile
CID 150778836

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile?
The IUPAC name of 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile (CID 146010108) is 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile is N#Cc1cc(C(=O)C(Cl)c2ccccc2)ccc1F.
What is the InChIKey of 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile?
The InChIKey is XQNHYZKEFCDQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO/c16-14(10-4-2-1-3-5-10)15(19)11-6-7-13(17)12(8-11)9-18/h1-8,14H.
What are the key properties of 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile?
5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile has a molecular weight of 273.69 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile is sourced from PubChem (CID 146010108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).