2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile

C15H8ClF2NO — CID 62649429

IUPAC2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H8ClF2NO/c16-10-6-4-9(5-7-10)12(8-19)15(20)11-2-1-3-13(17)14(11)18/h1-7,12H
InChIKeyKHGFRBBPAWFMKE-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile

2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile (PubChem CID 62649429) has the molecular formula C15H8ClF2NO and a molecular weight of 291.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
PubChem CID62649429
Molecular FormulaC15H8ClF2NO
Molecular Weight291.68 g/mol
Exact Mass291.03
IUPAC Name2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H8ClF2NO/c16-10-6-4-9(5-7-10)12(8-19)15(20)11-2-1-3-13(17)14(11)18/h1-7,12H
InChIKeyKHGFRBBPAWFMKE-UHFFFAOYSA-N
XLogP4.11
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
CID 62649588
3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334238
3-(2-chlorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334244
3-(2-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 81453719
3-(2,3-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 80521115
2-(2-chlorophenyl)-3-oxo-3-(2,3,4-trifluorophenyl)propanenitrile
CID 79754893
3-(2-chlorophenyl)-3-oxo-2-(4-propan-2-ylphenyl)propanenitrile
CID 43157209
3-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)-3-oxopropanenitrile
CID 107988461
2-(4-bromophenyl)-3-(2,6-difluorophenyl)-3-oxopropanenitrile
CID 43334116
2-(4-chlorophenyl)-3-(2,5-dibromophenyl)-3-oxopropanenitrile
CID 114373083
3-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43333874
(2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
CID 773172

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile (CID 62649429) is 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile is N#CC(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile?
The InChIKey is KHGFRBBPAWFMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO/c16-10-6-4-9(5-7-10)12(8-19)15(20)11-2-1-3-13(17)14(11)18/h1-7,12H.
What are the key properties of 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile?
2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile has a molecular weight of 291.68 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 62649429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).