3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile

C10H14F2N2 — CID 130736441

IUPAC3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NC2CC(F)(F)C2)C1
InChIInChI=1S/C10H14F2N2/c11-10(12)4-9(5-10)14-8-2-1-7(3-8)6-13/h7-9,14H,1-5H2
InChIKeyDEKZIEPLMBLMDQ-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.07
Rot. Bonds2

About 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile

3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile (PubChem CID 130736441) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile
PubChem CID130736441
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NC2CC(F)(F)C2)C1
InChIInChI=1S/C10H14F2N2/c11-10(12)4-9(5-10)14-8-2-1-7(3-8)6-13/h7-9,14H,1-5H2
InChIKeyDEKZIEPLMBLMDQ-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3,3-difluorocyclobutyl)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-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile (CID 130736441) is 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile is N#CC1CCC(NC2CC(F)(F)C2)C1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is DEKZIEPLMBLMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-10(12)4-9(5-10)14-8-2-1-7(3-8)6-13/h7-9,14H,1-5H2.
What are the key properties of 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile?
3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 200.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 130736441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).