6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine

C9H17ClF3NS — CID 107845658

IUPAC6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESFC(F)(F)SCCNCCCCCCCl
InChIInChI=1S/C9H17ClF3NS/c10-5-3-1-2-4-6-14-7-8-15-9(11,12)13/h14H,1-8H2
InChIKeyYBGMAQNUXFHOCC-UHFFFAOYSA-N
MW263.76 g/mol
LogP3.63
Rot. Bonds9

About 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine

6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (PubChem CID 107845658) has the molecular formula C9H17ClF3NS and a molecular weight of 263.76 g/mol. Its IUPAC name is 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
PubChem CID107845658
Molecular FormulaC9H17ClF3NS
Molecular Weight263.76 g/mol
Exact Mass263.07
IUPAC Name6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
SMILESFC(F)(F)SCCNCCCCCCCl
InChIInChI=1S/C9H17ClF3NS/c10-5-3-1-2-4-6-14-7-8-15-9(11,12)13/h14H,1-8H2
InChIKeyYBGMAQNUXFHOCC-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The IUPAC name of 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine (CID 107845658) is 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine.
What is the SMILES notation for 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The canonical SMILES for 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is FC(F)(F)SCCNCCCCCCCl.
What is the InChIKey of 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
The InChIKey is YBGMAQNUXFHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClF3NS/c10-5-3-1-2-4-6-14-7-8-15-9(11,12)13/h14H,1-8H2.
What are the key properties of 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine?
6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine has a molecular weight of 263.76 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine is sourced from PubChem (CID 107845658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).