1-chloro-6-(trifluoromethylsulfanyl)hexane

C7H12ClF3S — CID 141456831

IUPAC1-chloro-6-(trifluoromethylsulfanyl)hexane
SMILESFC(F)(F)SCCCCCCCl
InChIInChI=1S/C7H12ClF3S/c8-5-3-1-2-4-6-12-7(9,10)11/h1-6H2
InChIKeyJQJVOCIAMRHGSU-UHFFFAOYSA-N
MW220.69 g/mol
LogP4.04
Rot. Bonds6

About 1-chloro-6-(trifluoromethylsulfanyl)hexane

1-chloro-6-(trifluoromethylsulfanyl)hexane (PubChem CID 141456831) has the molecular formula C7H12ClF3S and a molecular weight of 220.69 g/mol. Its IUPAC name is 1-chloro-6-(trifluoromethylsulfanyl)hexane.

Molecular Properties

Compound Name1-chloro-6-(trifluoromethylsulfanyl)hexane
PubChem CID141456831
Molecular FormulaC7H12ClF3S
Molecular Weight220.69 g/mol
Exact Mass220.03
IUPAC Name1-chloro-6-(trifluoromethylsulfanyl)hexane
SMILESFC(F)(F)SCCCCCCCl
InChIInChI=1S/C7H12ClF3S/c8-5-3-1-2-4-6-12-7(9,10)11/h1-6H2
InChIKeyJQJVOCIAMRHGSU-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.69
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-6-(trifluoromethylsulfanyl)hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(trifluoromethylsulfanyl)hexane?
The IUPAC name of 1-chloro-6-(trifluoromethylsulfanyl)hexane (CID 141456831) is 1-chloro-6-(trifluoromethylsulfanyl)hexane.
What is the SMILES notation for 1-chloro-6-(trifluoromethylsulfanyl)hexane?
The canonical SMILES for 1-chloro-6-(trifluoromethylsulfanyl)hexane is FC(F)(F)SCCCCCCCl.
What is the InChIKey of 1-chloro-6-(trifluoromethylsulfanyl)hexane?
The InChIKey is JQJVOCIAMRHGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF3S/c8-5-3-1-2-4-6-12-7(9,10)11/h1-6H2.
What are the key properties of 1-chloro-6-(trifluoromethylsulfanyl)hexane?
1-chloro-6-(trifluoromethylsulfanyl)hexane has a molecular weight of 220.69 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(trifluoromethylsulfanyl)hexane is sourced from PubChem (CID 141456831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).