1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C12H16F3NS — CID 65099983

IUPAC1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(C2(N)CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C12H16F3NS/c1-8-5-10(7-17-8)11(16)4-2-3-9(6-11)12(13,14)15/h5,7,9H,2-4,6,16H2,1H3
InChIKeyCJGXQQGILCVUPD-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.96
Rot. Bonds1

About 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65099983) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65099983
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1cc(C2(N)CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C12H16F3NS/c1-8-5-10(7-17-8)11(16)4-2-3-9(6-11)12(13,14)15/h5,7,9H,2-4,6,16H2,1H3
InChIKeyCJGXQQGILCVUPD-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 65099983) is 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine is Cc1cc(C2(N)CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is CJGXQQGILCVUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-8-5-10(7-17-8)11(16)4-2-3-9(6-11)12(13,14)15/h5,7,9H,2-4,6,16H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65099983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).