3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine

C11H16FNS — CID 112567542

IUPAC3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine
SMILESCc1ccsc1C1(F)CCCC(N)C1
InChIInChI=1S/C11H16FNS/c1-8-4-6-14-10(8)11(12)5-2-3-9(13)7-11/h4,6,9H,2-3,5,7,13H2,1H3
InChIKeyZWUKOXGMJPRHOI-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.12
Rot. Bonds1

About 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine

3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine (PubChem CID 112567542) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine
PubChem CID112567542
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine
SMILESCc1ccsc1C1(F)CCCC(N)C1
InChIInChI=1S/C11H16FNS/c1-8-4-6-14-10(8)11(12)5-2-3-9(13)7-11/h4,6,9H,2-3,5,7,13H2,1H3
InChIKeyZWUKOXGMJPRHOI-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-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 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine (CID 112567542) is 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine is Cc1ccsc1C1(F)CCCC(N)C1.
What is the InChIKey of 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine?
The InChIKey is ZWUKOXGMJPRHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8-4-6-14-10(8)11(12)5-2-3-9(13)7-11/h4,6,9H,2-3,5,7,13H2,1H3.
What are the key properties of 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine?
3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methylthiophen-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 112567542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).