1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H16F3NS — CID 64753637

IUPAC1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccsc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)10-1-4-11(16,5-2-10)7-9-3-6-17-8-9/h3,6,8,10H,1-2,4-5,7,16H2
InChIKeyMYGXHRMROYQWTQ-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.74
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753637) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753637
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccsc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3NS/c13-12(14,15)10-1-4-11(16,5-2-10)7-9-3-6-17-8-9/h3,6,8,10H,1-2,4-5,7,16H2
InChIKeyMYGXHRMROYQWTQ-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753637) is 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is NC1(Cc2ccsc2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MYGXHRMROYQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c13-12(14,15)10-1-4-11(16,5-2-10)7-9-3-6-17-8-9/h3,6,8,10H,1-2,4-5,7,16H2.
What are the key properties of 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).