2-(trifluoromethylsulfanyl)cyclohexan-1-amine

C7H12F3NS — CID 72699105

IUPAC2-(trifluoromethylsulfanyl)cyclohexan-1-amine
SMILESNC1CCCCC1SC(F)(F)F
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2
InChIKeyYBTLNZLBAVNVKW-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.51
Rot. Bonds1

About 2-(trifluoromethylsulfanyl)cyclohexan-1-amine

2-(trifluoromethylsulfanyl)cyclohexan-1-amine (PubChem CID 72699105) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)cyclohexan-1-amine
PubChem CID72699105
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name2-(trifluoromethylsulfanyl)cyclohexan-1-amine
SMILESNC1CCCCC1SC(F)(F)F
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2
InChIKeyYBTLNZLBAVNVKW-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 2-(trifluoromethylsulfanyl)cyclohexan-1-amine (CID 72699105) is 2-(trifluoromethylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 2-(trifluoromethylsulfanyl)cyclohexan-1-amine is NC1CCCCC1SC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfanyl)cyclohexan-1-amine?
The InChIKey is YBTLNZLBAVNVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2.
What are the key properties of 2-(trifluoromethylsulfanyl)cyclohexan-1-amine?
2-(trifluoromethylsulfanyl)cyclohexan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 72699105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).