2-(4-fluoro-2-methylphenyl)propanenitrile

C10H10FN — CID 130135001

IUPAC2-(4-fluoro-2-methylphenyl)propanenitrile
SMILESCc1cc(F)ccc1C(C)C#N
InChIInChI=1S/C10H10FN/c1-7-5-9(11)3-4-10(7)8(2)6-12/h3-5,8H,1-2H3
InChIKeyBBRUBOHIWDHMBS-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.76
Rot. Bonds1

About 2-(4-fluoro-2-methylphenyl)propanenitrile

2-(4-fluoro-2-methylphenyl)propanenitrile (PubChem CID 130135001) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)propanenitrile
PubChem CID130135001
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name2-(4-fluoro-2-methylphenyl)propanenitrile
SMILESCc1cc(F)ccc1C(C)C#N
InChIInChI=1S/C10H10FN/c1-7-5-9(11)3-4-10(7)8(2)6-12/h3-5,8H,1-2H3
InChIKeyBBRUBOHIWDHMBS-UHFFFAOYSA-N
XLogP2.76
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171869760
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
CID 145153744
2-[(4-fluoro-2-methylphenyl)-hydroxymethyl]pentanenitrile
CID 79412547
(3S)-2,2-diethyl-3-(4-fluoro-2-methylphenyl)butanenitrile
CID 155351116
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
CID 162344714
1-(dimethoxymethyl)-4-fluoro-2-methylbenzene
CID 135381934
2-(2,3,4-trifluorophenyl)propanenitrile
CID 117046772
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84625979
2-(2,4-difluorophenyl)-2-(2-methylphenyl)acetonitrile
CID 175435868

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)propanenitrile?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)propanenitrile (CID 130135001) is 2-(4-fluoro-2-methylphenyl)propanenitrile.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)propanenitrile?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)propanenitrile is Cc1cc(F)ccc1C(C)C#N.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)propanenitrile?
The InChIKey is BBRUBOHIWDHMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-7-5-9(11)3-4-10(7)8(2)6-12/h3-5,8H,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)propanenitrile?
2-(4-fluoro-2-methylphenyl)propanenitrile has a molecular weight of 163.19 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)propanenitrile is sourced from PubChem (CID 130135001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).