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

C15H7Cl2F2NO — CID 64560290

IUPAC3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1F
InChIInChI=1S/C15H7Cl2F2NO/c16-12-3-1-2-10(14(12)17)15(21)11(7-20)9-5-4-8(18)6-13(9)19/h1-6,11H
InChIKeyYAHYURCTHWQPQE-UHFFFAOYSA-N
MW326.13 g/mol
LogP4.76
Rot. Bonds3

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

3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile (PubChem CID 64560290) has the molecular formula C15H7Cl2F2NO and a molecular weight of 326.13 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
PubChem CID64560290
Molecular FormulaC15H7Cl2F2NO
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1F
InChIInChI=1S/C15H7Cl2F2NO/c16-12-3-1-2-10(14(12)17)15(21)11(7-20)9-5-4-8(18)6-13(9)19/h1-6,11H
InChIKeyYAHYURCTHWQPQE-UHFFFAOYSA-N
XLogP4.76
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64559524
3-(2,3-dichlorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43334550
3-(2-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 81453719
2-(2,4-difluorophenyl)-3-(4-fluorophenyl)-3-oxopropanenitrile
CID 64560102
2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
CID 62649588
2-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-oxopropanenitrile
CID 63037247
2-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)-3-oxopropanenitrile
CID 64561068
3-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64558760
2-(2,4-difluorophenyl)-3-(3-methylphenyl)-3-oxopropanenitrile
CID 64559333
2-(2-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)-3-oxopropanenitrile
CID 63037595
2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-oxopropanenitrile
CID 82788937
2-(2-chlorophenyl)-3-oxo-3-(2,3,4-trifluorophenyl)propanenitrile
CID 79754893

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile (CID 64560290) is 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile is N#CC(C(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile?
The InChIKey is YAHYURCTHWQPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F2NO/c16-12-3-1-2-10(14(12)17)15(21)11(7-20)9-5-4-8(18)6-13(9)19/h1-6,11H.
What are the key properties of 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile?
3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile has a molecular weight of 326.13 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile is sourced from PubChem (CID 64560290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).