2-(difluoromethyl)-4-methylpentanenitrile

C7H11F2N — CID 105429015

IUPAC2-(difluoromethyl)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)C(F)F
InChIInChI=1S/C7H11F2N/c1-5(2)3-6(4-10)7(8)9/h5-7H,3H2,1-2H3
InChIKeyAUXSRGUTFFSABG-UHFFFAOYSA-N
MW147.17 g/mol
LogP2.44
Rot. Bonds3

About 2-(difluoromethyl)-4-methylpentanenitrile

2-(difluoromethyl)-4-methylpentanenitrile (PubChem CID 105429015) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methylpentanenitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methylpentanenitrile
PubChem CID105429015
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(difluoromethyl)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)C(F)F
InChIInChI=1S/C7H11F2N/c1-5(2)3-6(4-10)7(8)9/h5-7H,3H2,1-2H3
InChIKeyAUXSRGUTFFSABG-UHFFFAOYSA-N
XLogP2.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-cyano-3-methylbutyl)propanedioic acid
CID 11651328
3-amino-2-(2-methylpropyl)hexanenitrile
CID 137427514
(2S)-2,4-dimethylpentanenitrile
CID 121493485
ethyl (3R)-3-cyano-2-ethyl-5-methylhexanoate
CID 58052006
ethyl 2-acetyl-3-cyano-5-methylhexanoate
CID 58332766
(2S)-1,1-difluoro-4-methylpentan-2-amine
CID 130038441
(2R)-1,1-difluoro-4-methylpentan-2-ol
CID 171795425
2,4-dimethylpentane
CID 157050020
sodium;(3S)-3-cyano-2-ethoxycarbonyl-5-methylhexanoic acid;hydride
CID 173003333
(5S)-5-bromo-4-methyl-2-propan-2-ylhexanenitrile
CID 166818389
2-(methanidylamino)-4-methylpentanenitrile;uranium
CID 155743178
2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile
CID 24972337

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methylpentanenitrile?
The IUPAC name of 2-(difluoromethyl)-4-methylpentanenitrile (CID 105429015) is 2-(difluoromethyl)-4-methylpentanenitrile.
What is the SMILES notation for 2-(difluoromethyl)-4-methylpentanenitrile?
The canonical SMILES for 2-(difluoromethyl)-4-methylpentanenitrile is CC(C)CC(C#N)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-methylpentanenitrile?
The InChIKey is AUXSRGUTFFSABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-5(2)3-6(4-10)7(8)9/h5-7H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-4-methylpentanenitrile?
2-(difluoromethyl)-4-methylpentanenitrile has a molecular weight of 147.17 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methylpentanenitrile is sourced from PubChem (CID 105429015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).