1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine

C8H14F3NS — CID 129294896

IUPAC1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine
SMILESFC(F)(F)SNCC1CCCCC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)13-12-6-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyAWMHMQUOHYBTAO-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.32
Rot. Bonds3

About 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine

1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine (PubChem CID 129294896) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine
PubChem CID129294896
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine
SMILESFC(F)(F)SNCC1CCCCC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)13-12-6-7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKeyAWMHMQUOHYBTAO-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.32
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 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine (CID 129294896) is 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine is FC(F)(F)SNCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine?
The InChIKey is AWMHMQUOHYBTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c9-8(10,11)13-12-6-7-4-2-1-3-5-7/h7,12H,1-6H2.
What are the key properties of 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine?
1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine has a molecular weight of 213.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(trifluoromethylsulfanyl)methanamine is sourced from PubChem (CID 129294896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).