2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile

C12H14FN — CID 84771980

IUPAC2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile
SMILESCC(C)c1cc(F)cc(C(C)C#N)c1
InChIInChI=1S/C12H14FN/c1-8(2)10-4-11(9(3)7-14)6-12(13)5-10/h4-6,8-9H,1-3H3
InChIKeyGJKYTGJNNCZFLY-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.58
Rot. Bonds2

About 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile

2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile (PubChem CID 84771980) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile
PubChem CID84771980
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile
SMILESCC(C)c1cc(F)cc(C(C)C#N)c1
InChIInChI=1S/C12H14FN/c1-8(2)10-4-11(9(3)7-14)6-12(13)5-10/h4-6,8-9H,1-3H3
InChIKeyGJKYTGJNNCZFLY-UHFFFAOYSA-N
XLogP3.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-cyanoethyl)-5-fluorobenzoic acid
CID 130135358
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
2-[3-(1-cyanoethyl)-5-methylphenyl]propanenitrile
CID 89362177
2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile
CID 84767390
1-(3-fluoro-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
CID 84777395
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 84790187
2-(3,5-difluorophenyl)-3-methylpentanenitrile
CID 79446877
2-(2,4-difluoro-6-hydroxyphenyl)propanenitrile
CID 84768886
3-fluoro-N,5-di(propan-2-yl)aniline
CID 130224455
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile?
The IUPAC name of 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile (CID 84771980) is 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile.
What is the SMILES notation for 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile?
The canonical SMILES for 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile is CC(C)c1cc(F)cc(C(C)C#N)c1.
What is the InChIKey of 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile?
The InChIKey is GJKYTGJNNCZFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8(2)10-4-11(9(3)7-14)6-12(13)5-10/h4-6,8-9H,1-3H3.
What are the key properties of 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile?
2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile has a molecular weight of 191.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile is sourced from PubChem (CID 84771980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).