4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine

C13H16F3NS — CID 67242225

IUPAC4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine
SMILESNC1CCC(Sc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-2,5-6,10,12H,3-4,7-8,17H2
InChIKeyHEVYLUJHFCVTGU-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.07
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine

4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine (PubChem CID 67242225) has the molecular formula C13H16F3NS and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine
PubChem CID67242225
Molecular FormulaC13H16F3NS
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine
SMILESNC1CCC(Sc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NS/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-2,5-6,10,12H,3-4,7-8,17H2
InChIKeyHEVYLUJHFCVTGU-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine (CID 67242225) is 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine is NC1CCC(Sc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine?
The InChIKey is HEVYLUJHFCVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NS/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-2,5-6,10,12H,3-4,7-8,17H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine?
4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-amine is sourced from PubChem (CID 67242225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).