3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile

C15H10Cl2FN — CID 82140040

IUPAC3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile
SMILESN#CC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H10Cl2FN/c16-13-6-5-10(8-14(13)17)7-11(9-19)12-3-1-2-4-15(12)18/h1-6,8,11H,7H2
InChIKeyZHHGCZFIDWPPEP-UHFFFAOYSA-N
MW294.16 g/mol
LogP4.98
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile

3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile (PubChem CID 82140040) has the molecular formula C15H10Cl2FN and a molecular weight of 294.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile
PubChem CID82140040
Molecular FormulaC15H10Cl2FN
Molecular Weight294.16 g/mol
Exact Mass293.02
IUPAC Name3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile
SMILESN#CC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H10Cl2FN/c16-13-6-5-10(8-14(13)17)7-11(9-19)12-3-1-2-4-15(12)18/h1-6,8,11H,7H2
InChIKeyZHHGCZFIDWPPEP-UHFFFAOYSA-N
XLogP4.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82139412
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048
3-[2-cyano-2-(2-fluorophenyl)ethyl]benzonitrile
CID 82140928
3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140609
3-(4-tert-butylphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140123
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
CID 79439713
1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060
2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile
CID 82088876
2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
CID 63044768
3-(5-bromo-3-pyridinyl)-2-(2-chlorophenyl)propanenitrile
CID 158100103
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
5-(4-chlorophenoxy)-2-(2-fluorophenyl)pentanenitrile
CID 82137230

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile (CID 82140040) is 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile is N#CC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile?
The InChIKey is ZHHGCZFIDWPPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN/c16-13-6-5-10(8-14(13)17)7-11(9-19)12-3-1-2-4-15(12)18/h1-6,8,11H,7H2.
What are the key properties of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile?
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile has a molecular weight of 294.16 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile is sourced from PubChem (CID 82140040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).