(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C12H15ClF3NS — CID 105173547

IUPAC(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1ccc(Cl)s1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15ClF3NS/c13-10-6-5-9(18-10)11(17)7-1-3-8(4-2-7)12(14,15)16/h5-8,11H,1-4,17H2
InChIKeyOOIUEHCKYFFCHM-UHFFFAOYSA-N
MW297.77 g/mol
LogP4.77
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105173547) has the molecular formula C12H15ClF3NS and a molecular weight of 297.77 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105173547
Molecular FormulaC12H15ClF3NS
Molecular Weight297.77 g/mol
Exact Mass297.06
IUPAC Name(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC(c1ccc(Cl)s1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15ClF3NS/c13-10-6-5-9(18-10)11(17)7-1-3-8(4-2-7)12(14,15)16/h5-8,11H,1-4,17H2
InChIKeyOOIUEHCKYFFCHM-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162179
(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
(R)-(5-chlorothiophen-2-yl)-piperidin-4-ylmethanamine
CID 95448503
[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine
CID 43331838
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105149474
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 54955892
2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol
CID 82076672
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105142128

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105173547) is (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine is NC(c1ccc(Cl)s1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is OOIUEHCKYFFCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NS/c13-10-6-5-9(18-10)11(17)7-1-3-8(4-2-7)12(14,15)16/h5-8,11H,1-4,17H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 297.77 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105173547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).