2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile

C15H10FNO — CID 43334212

IUPAC2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
SMILESN#CC(C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H10FNO/c16-13-8-6-11(7-9-13)14(10-17)15(18)12-4-2-1-3-5-12/h1-9,14H
InChIKeyQVGNBNVUGQSCNV-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile

2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile (PubChem CID 43334212) has the molecular formula C15H10FNO and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
PubChem CID43334212
Molecular FormulaC15H10FNO
Molecular Weight239.25 g/mol
Exact Mass239.07
IUPAC Name2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
SMILESN#CC(C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H10FNO/c16-13-8-6-11(7-9-13)14(10-17)15(18)12-4-2-1-3-5-12/h1-9,14H
InChIKeyQVGNBNVUGQSCNV-UHFFFAOYSA-N
XLogP3.32
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334238
3-(4-ethylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334247
3-(2-chlorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334244
2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156952
2-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79215749
2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43333833
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
2-(4-fluorophenyl)-3-(5-iodothiophen-3-yl)-3-oxopropanenitrile
CID 79693426
3-(3-chloro-4-fluorophenyl)-3-oxo-2-phenylpropanenitrile
CID 82875579
(2S,3S)-2-bromo-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 46868148
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile (CID 43334212) is 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile is N#CC(C(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile?
The InChIKey is QVGNBNVUGQSCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO/c16-13-8-6-11(7-9-13)14(10-17)15(18)12-4-2-1-3-5-12/h1-9,14H.
What are the key properties of 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile?
2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile has a molecular weight of 239.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile is sourced from PubChem (CID 43334212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).