3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile

C9H14F2N2 — CID 131010592

IUPAC3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCN(CC(F)F)C1CCC(C#N)C1
InChIInChI=1S/C9H14F2N2/c1-13(6-9(10)11)8-3-2-7(4-8)5-12/h7-9H,2-4,6H2,1H3
InChIKeyZDNQTBHMXFUIJC-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.88
Rot. Bonds3

About 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile

3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile (PubChem CID 131010592) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile
PubChem CID131010592
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile
SMILESCN(CC(F)F)C1CCC(C#N)C1
InChIInChI=1S/C9H14F2N2/c1-13(6-9(10)11)8-3-2-7(4-8)5-12/h7-9H,2-4,6H2,1H3
InChIKeyZDNQTBHMXFUIJC-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile (CID 131010592) is 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile is CN(CC(F)F)C1CCC(C#N)C1.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is ZDNQTBHMXFUIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-13(6-9(10)11)8-3-2-7(4-8)5-12/h7-9H,2-4,6H2,1H3.
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile?
3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 188.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131010592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).