2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

C10H17ClF3NS — CID 102637498

IUPAC2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCN(CCSC(F)(F)F)C1CCCCC1Cl
InChIInChI=1S/C10H17ClF3NS/c1-15(6-7-16-10(12,13)14)9-5-3-2-4-8(9)11/h8-9H,2-7H2,1H3
InChIKeySKPPKLAEBAEQFC-UHFFFAOYSA-N
MW275.77 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine

2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 102637498) has the molecular formula C10H17ClF3NS and a molecular weight of 275.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID102637498
Molecular FormulaC10H17ClF3NS
Molecular Weight275.77 g/mol
Exact Mass275.07
IUPAC Name2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCN(CCSC(F)(F)F)C1CCCCC1Cl
InChIInChI=1S/C10H17ClF3NS/c1-15(6-7-16-10(12,13)14)9-5-3-2-4-8(9)11/h8-9H,2-7H2,1H3
InChIKeySKPPKLAEBAEQFC-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine (CID 102637498) is 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is CN(CCSC(F)(F)F)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is SKPPKLAEBAEQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NS/c1-15(6-7-16-10(12,13)14)9-5-3-2-4-8(9)11/h8-9H,2-7H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine?
2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 275.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 102637498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).