N-(trifluoromethylsulfanyl)cyclohexanamine

C7H12F3NS — CID 54393213

IUPACN-(trifluoromethylsulfanyl)cyclohexanamine
SMILESFC(F)(F)SNC1CCCCC1
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-11-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyVIDGOSLCLWYGTD-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.08
Rot. Bonds2

About N-(trifluoromethylsulfanyl)cyclohexanamine

N-(trifluoromethylsulfanyl)cyclohexanamine (PubChem CID 54393213) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is N-(trifluoromethylsulfanyl)cyclohexanamine.

Molecular Properties

Compound NameN-(trifluoromethylsulfanyl)cyclohexanamine
PubChem CID54393213
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC NameN-(trifluoromethylsulfanyl)cyclohexanamine
SMILESFC(F)(F)SNC1CCCCC1
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-11-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyVIDGOSLCLWYGTD-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfanyl)cyclohexanamine?
The IUPAC name of N-(trifluoromethylsulfanyl)cyclohexanamine (CID 54393213) is N-(trifluoromethylsulfanyl)cyclohexanamine.
What is the SMILES notation for N-(trifluoromethylsulfanyl)cyclohexanamine?
The canonical SMILES for N-(trifluoromethylsulfanyl)cyclohexanamine is FC(F)(F)SNC1CCCCC1.
What is the InChIKey of N-(trifluoromethylsulfanyl)cyclohexanamine?
The InChIKey is VIDGOSLCLWYGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c8-7(9,10)12-11-6-4-2-1-3-5-6/h6,11H,1-5H2.
What are the key properties of N-(trifluoromethylsulfanyl)cyclohexanamine?
N-(trifluoromethylsulfanyl)cyclohexanamine has a molecular weight of 199.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfanyl)cyclohexanamine is sourced from PubChem (CID 54393213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).