(2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile

C18H18FN — CID 134968962

IUPAC(2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile
SMILESCc1cccc([C@](C#N)(c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C18H18FN/c1-13(2)18(12-20,15-7-9-17(19)10-8-15)16-6-4-5-14(3)11-16/h4-11,13H,1-3H3/t18-/m0/s1
InChIKeyOYUJQNCFFGNLCK-SFHVURJKSA-N
MW267.35 g/mol
LogP4.60
Rot. Bonds3

About (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile

(2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile (PubChem CID 134968962) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile
PubChem CID134968962
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name(2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile
SMILESCc1cccc([C@](C#N)(c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C18H18FN/c1-13(2)18(12-20,15-7-9-17(19)10-8-15)16-6-4-5-14(3)11-16/h4-11,13H,1-3H3/t18-/m0/s1
InChIKeyOYUJQNCFFGNLCK-SFHVURJKSA-N
XLogP4.60
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile?
The IUPAC name of (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile (CID 134968962) is (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile is Cc1cccc([C@](C#N)(c2ccc(F)cc2)C(C)C)c1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile?
The InChIKey is OYUJQNCFFGNLCK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18FN/c1-13(2)18(12-20,15-7-9-17(19)10-8-15)16-6-4-5-14(3)11-16/h4-11,13H,1-3H3/t18-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile?
(2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile has a molecular weight of 267.35 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-3-methyl-2-(3-methylphenyl)butanenitrile is sourced from PubChem (CID 134968962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).