N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine

C11H14F3NS — CID 66352296

IUPACN-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine
SMILESFC(F)(F)C1CCCC(Nc2ccsc2)C1
InChIInChI=1S/C11H14F3NS/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-16-7-10/h4-5,7-9,15H,1-3,6H2
InChIKeyUWMWIFPMHZKGBS-UHFFFAOYSA-N
MW249.30 g/mol
LogP4.28
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine

N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine (PubChem CID 66352296) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine
PubChem CID66352296
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine
SMILESFC(F)(F)C1CCCC(Nc2ccsc2)C1
InChIInChI=1S/C11H14F3NS/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-16-7-10/h4-5,7-9,15H,1-3,6H2
InChIKeyUWMWIFPMHZKGBS-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine (CID 66352296) is N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine is FC(F)(F)C1CCCC(Nc2ccsc2)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine?
The InChIKey is UWMWIFPMHZKGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c12-11(13,14)8-2-1-3-9(6-8)15-10-4-5-16-7-10/h4-5,7-9,15H,1-3,6H2.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine?
N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine has a molecular weight of 249.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]thiophen-3-amine is sourced from PubChem (CID 66352296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).