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

C15H10ClF2N — CID 82139812

IUPAC3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile
SMILESN#CC(Cc1c(F)cccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H10ClF2N/c16-14-5-2-6-15(18)13(14)8-11(9-19)10-3-1-4-12(17)7-10/h1-7,11H,8H2
InChIKeyQGNCNFJMFDVICT-UHFFFAOYSA-N
MW277.70 g/mol
LogP4.47
Rot. Bonds3

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

3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile (PubChem CID 82139812) has the molecular formula C15H10ClF2N and a molecular weight of 277.70 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile
PubChem CID82139812
Molecular FormulaC15H10ClF2N
Molecular Weight277.70 g/mol
Exact Mass277.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile
SMILESN#CC(Cc1c(F)cccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H10ClF2N/c16-14-5-2-6-15(18)13(14)8-11(9-19)10-3-1-4-12(17)7-10/h1-7,11H,8H2
InChIKeyQGNCNFJMFDVICT-UHFFFAOYSA-N
XLogP4.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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)-3-(2,6-dichlorophenyl)propanenitrile
CID 82139456
2-(4-chlorophenyl)-3-(3-fluorophenyl)propanenitrile
CID 82140421
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
CID 79431465
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
CID 82078369
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)-3-fluorobenzene
CID 113460186
2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140744
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
2-[2-bromo-2-(4-fluorophenyl)ethyl]-1-chloro-3-fluorobenzene
CID 63436939

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile (CID 82139812) is 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile is N#CC(Cc1c(F)cccc1Cl)c1cccc(F)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile?
The InChIKey is QGNCNFJMFDVICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N/c16-14-5-2-6-15(18)13(14)8-11(9-19)10-3-1-4-12(17)7-10/h1-7,11H,8H2.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile?
3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile has a molecular weight of 277.70 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-(3-fluorophenyl)propanenitrile is sourced from PubChem (CID 82139812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).