cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine

C7H12F3NS — CID 97357223

IUPACcis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine
SMILESN[C@H]1CCCC[C@H]1SC(F)(F)F
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2/t5-,6+/m0/s1
InChIKeyYBTLNZLBAVNVKW-NTSWFWBYSA-N
MW199.24 g/mol
LogP2.51
Rot. Bonds1

About cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine

cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine (PubChem CID 97357223) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine
PubChem CID97357223
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Namecis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine
SMILESN[C@H]1CCCC[C@H]1SC(F)(F)F
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h5-6H,1-4,11H2/t5-,6+/m0/s1
InChIKeyYBTLNZLBAVNVKW-NTSWFWBYSA-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 cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine (CID 97357223) is cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine is N[C@H]1CCCC[C@H]1SC(F)(F)F.
What is the InChIKey of cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine?
The InChIKey is YBTLNZLBAVNVKW-NTSWFWBYSA-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/t5-,6+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine?
cis-(1S,2R)-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 cis-(1S,2R)-2-(trifluoromethylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 97357223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).