3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile

C15H9F2NO — CID 43334238

IUPAC3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H9F2NO/c16-11-7-5-10(6-8-11)13(9-18)15(19)12-3-1-2-4-14(12)17/h1-8,13H
InChIKeyUZVSVFRVFRCUDK-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.45
Rot. Bonds3

About 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile

3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile (PubChem CID 43334238) has the molecular formula C15H9F2NO and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
PubChem CID43334238
Molecular FormulaC15H9F2NO
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H9F2NO/c16-11-7-5-10(6-8-11)13(9-18)15(19)12-3-1-2-4-14(12)17/h1-8,13H
InChIKeyUZVSVFRVFRCUDK-UHFFFAOYSA-N
XLogP3.45
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334244
2-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79215749
2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43334212
2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
CID 62649429
3-(2-bromo-3-methylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 107982674
3-(2-methylsulfanylphenyl)-3-oxo-2-phenylpropanenitrile
CID 113224931
3-(2-chlorophenyl)-3-oxo-2-(4-propan-2-ylphenyl)propanenitrile
CID 43157209
2-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-oxopropanenitrile
CID 61496396
3-(2-fluoro-4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 102883259
3-(2-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 81453719
2-(4-bromophenyl)-3-(2,6-difluorophenyl)-3-oxopropanenitrile
CID 43334116
3-(2,5-dimethylfuran-3-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334213

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile?
The IUPAC name of 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile (CID 43334238) is 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile is N#CC(C(=O)c1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile?
The InChIKey is UZVSVFRVFRCUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO/c16-11-7-5-10(6-8-11)13(9-18)15(19)12-3-1-2-4-14(12)17/h1-8,13H.
What are the key properties of 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile?
3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile has a molecular weight of 257.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 43334238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).