2-chloro-1-(trifluoromethylsulfanyl)pentane

C6H10ClF3S — CID 58019344

IUPAC2-chloro-1-(trifluoromethylsulfanyl)pentane
SMILESCCCC(Cl)CSC(F)(F)F
InChIInChI=1S/C6H10ClF3S/c1-2-3-5(7)4-11-6(8,9)10/h5H,2-4H2,1H3
InChIKeyIYQJSGCWPHNOJG-UHFFFAOYSA-N
MW206.66 g/mol
LogP3.65
Rot. Bonds4

About 2-chloro-1-(trifluoromethylsulfanyl)pentane

2-chloro-1-(trifluoromethylsulfanyl)pentane (PubChem CID 58019344) has the molecular formula C6H10ClF3S and a molecular weight of 206.66 g/mol. Its IUPAC name is 2-chloro-1-(trifluoromethylsulfanyl)pentane.

Molecular Properties

Compound Name2-chloro-1-(trifluoromethylsulfanyl)pentane
PubChem CID58019344
Molecular FormulaC6H10ClF3S
Molecular Weight206.66 g/mol
Exact Mass206.01
IUPAC Name2-chloro-1-(trifluoromethylsulfanyl)pentane
SMILESCCCC(Cl)CSC(F)(F)F
InChIInChI=1S/C6H10ClF3S/c1-2-3-5(7)4-11-6(8,9)10/h5H,2-4H2,1H3
InChIKeyIYQJSGCWPHNOJG-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.66
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(trifluoromethylsulfanyl)pentane 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 2-chloro-1-(trifluoromethylsulfanyl)pentane?
The IUPAC name of 2-chloro-1-(trifluoromethylsulfanyl)pentane (CID 58019344) is 2-chloro-1-(trifluoromethylsulfanyl)pentane.
What is the SMILES notation for 2-chloro-1-(trifluoromethylsulfanyl)pentane?
The canonical SMILES for 2-chloro-1-(trifluoromethylsulfanyl)pentane is CCCC(Cl)CSC(F)(F)F.
What is the InChIKey of 2-chloro-1-(trifluoromethylsulfanyl)pentane?
The InChIKey is IYQJSGCWPHNOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF3S/c1-2-3-5(7)4-11-6(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 2-chloro-1-(trifluoromethylsulfanyl)pentane?
2-chloro-1-(trifluoromethylsulfanyl)pentane has a molecular weight of 206.66 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(trifluoromethylsulfanyl)pentane is sourced from PubChem (CID 58019344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).