2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile

C15H9Cl3FN — CID 82139456

IUPAC2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile
SMILESN#CC(Cc1c(Cl)cccc1Cl)c1c(F)cccc1Cl
InChIInChI=1S/C15H9Cl3FN/c16-11-3-1-4-12(17)10(11)7-9(8-20)15-13(18)5-2-6-14(15)19/h1-6,9H,7H2
InChIKeyCPQGZAZJRNUVFP-UHFFFAOYSA-N
MW328.60 g/mol
LogP5.64
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile

2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile (PubChem CID 82139456) has the molecular formula C15H9Cl3FN and a molecular weight of 328.60 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile
PubChem CID82139456
Molecular FormulaC15H9Cl3FN
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile
SMILESN#CC(Cc1c(Cl)cccc1Cl)c1c(F)cccc1Cl
InChIInChI=1S/C15H9Cl3FN/c16-11-3-1-4-12(17)10(11)7-9(8-20)15-13(18)5-2-6-14(15)19/h1-6,9H,7H2
InChIKeyCPQGZAZJRNUVFP-UHFFFAOYSA-N
XLogP5.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.60
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-4-methylpentanenitrile
CID 82080909
3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile
CID 82139812
(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056862
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
(2S)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056861
3-(2-chloro-6-fluorophenyl)-2-[4-(dimethylamino)phenyl]propanenitrile
CID 82139818
3-(2-chloro-6-fluorophenyl)-2-(4-nitrophenyl)propanenitrile
CID 82139808
2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile
CID 90934428
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
3-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)propanenitrile
CID 82139465

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile (CID 82139456) is 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile is N#CC(Cc1c(Cl)cccc1Cl)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile?
The InChIKey is CPQGZAZJRNUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3FN/c16-11-3-1-4-12(17)10(11)7-9(8-20)15-13(18)5-2-6-14(15)19/h1-6,9H,7H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile?
2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile has a molecular weight of 328.60 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile is sourced from PubChem (CID 82139456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).