1-(4,4-difluorocyclohexyl)ethenamine

C8H13F2N — CID 178058303

IUPAC1-(4,4-difluorocyclohexyl)ethenamine
SMILESC=C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h7H,1-5,11H2
InChIKeyPKQMRMBABDFLAL-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.28
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)ethenamine

1-(4,4-difluorocyclohexyl)ethenamine (PubChem CID 178058303) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)ethenamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)ethenamine
PubChem CID178058303
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-(4,4-difluorocyclohexyl)ethenamine
SMILESC=C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h7H,1-5,11H2
InChIKeyPKQMRMBABDFLAL-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-difluorocyclohexyl)ethenamine 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 1-(4,4-difluorocyclohexyl)ethenamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)ethenamine (CID 178058303) is 1-(4,4-difluorocyclohexyl)ethenamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)ethenamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)ethenamine is C=C(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)ethenamine?
The InChIKey is PKQMRMBABDFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h7H,1-5,11H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)ethenamine?
1-(4,4-difluorocyclohexyl)ethenamine has a molecular weight of 161.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)ethenamine is sourced from PubChem (CID 178058303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).