3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile

C18H18FN — CID 82092276

IUPAC3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
SMILESCC(C)c1ccc(C(C#N)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN/c1-13(2)15-5-7-16(8-6-15)17(12-20)11-14-3-9-18(19)10-4-14/h3-10,13,17H,11H2,1-2H3
InChIKeyZMXSUUNEJQLYEG-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.80
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile

3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile (PubChem CID 82092276) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
PubChem CID82092276
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
SMILESCC(C)c1ccc(C(C#N)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN/c1-13(2)15-5-7-16(8-6-15)17(12-20)11-14-3-9-18(19)10-4-14/h3-10,13,17H,11H2,1-2H3
InChIKeyZMXSUUNEJQLYEG-UHFFFAOYSA-N
XLogP4.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-cyano-2-(4-propan-2-ylphenyl)ethyl]benzonitrile
CID 82140089
2,3-bis[4-(trifluoromethyl)phenyl]propanenitrile
CID 594365
3-(2,5-dimethylphenyl)-2-(4-fluorophenyl)propanenitrile
CID 82141326
3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile
CID 82087236
2-(2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanenitrile
CID 82140092
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
CID 82077294
2-(4-chlorophenyl)-3-(3-fluorophenyl)propanenitrile
CID 82140421
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
2-fluoro-3-(4-fluorophenyl)propanenitrile
CID 115013228
3-(dimethylamino)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82078866
trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
CID 89412455

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile (CID 82092276) is 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile is CC(C)c1ccc(C(C#N)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile?
The InChIKey is ZMXSUUNEJQLYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c1-13(2)15-5-7-16(8-6-15)17(12-20)11-14-3-9-18(19)10-4-14/h3-10,13,17H,11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile?
3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile has a molecular weight of 267.35 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile is sourced from PubChem (CID 82092276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).