4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine

C10H16F2N2 — CID 174318047

IUPAC4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine
SMILESNC1=CCC(N2CCC(F)(F)C2)CC1
InChIInChI=1S/C10H16F2N2/c11-10(12)5-6-14(7-10)9-3-1-8(13)2-4-9/h1,9H,2-7,13H2
InChIKeyDMTJWHPUPXPLHJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.72
Rot. Bonds1

About 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine

4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine (PubChem CID 174318047) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine
PubChem CID174318047
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine
SMILESNC1=CCC(N2CCC(F)(F)C2)CC1
InChIInChI=1S/C10H16F2N2/c11-10(12)5-6-14(7-10)9-3-1-8(13)2-4-9/h1,9H,2-7,13H2
InChIKeyDMTJWHPUPXPLHJ-UHFFFAOYSA-N
XLogP1.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine 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 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine (CID 174318047) is 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine is NC1=CCC(N2CCC(F)(F)C2)CC1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine?
The InChIKey is DMTJWHPUPXPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c11-10(12)5-6-14(7-10)9-3-1-8(13)2-4-9/h1,9H,2-7,13H2.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine?
4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine has a molecular weight of 202.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)cyclohexen-1-amine is sourced from PubChem (CID 174318047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).