3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile

C16H14FN — CID 82140436

IUPAC3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
SMILESCC(C#N)(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H14FN/c1-16(12-18,14-7-3-2-4-8-14)11-13-6-5-9-15(17)10-13/h2-10H,11H2,1H3
InChIKeyYOXYTPYCHOIVOW-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.85
Rot. Bonds3

About 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile

3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile (PubChem CID 82140436) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
PubChem CID82140436
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
SMILESCC(C#N)(Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H14FN/c1-16(12-18,14-7-3-2-4-8-14)11-13-6-5-9-15(17)10-13/h2-10H,11H2,1H3
InChIKeyYOXYTPYCHOIVOW-UHFFFAOYSA-N
XLogP3.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140043
2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile
CID 117048203
2-(benzylamino)-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831847
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-methyl-3-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanenitrile
CID 139377198
2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile
CID 114835027
(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
2-methyl-2-phenyl-3-(2,4,6-trimethylphenyl)propanenitrile
CID 82141424

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile (CID 82140436) is 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile is CC(C#N)(Cc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile?
The InChIKey is YOXYTPYCHOIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-16(12-18,14-7-3-2-4-8-14)11-13-6-5-9-15(17)10-13/h2-10H,11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile?
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile has a molecular weight of 239.29 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile is sourced from PubChem (CID 82140436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).