2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane

C6H10ClF3S — CID 134832854

IUPAC2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane
SMILESCC(C)(C)SC(Cl)C(F)(F)F
InChIInChI=1S/C6H10ClF3S/c1-5(2,3)11-4(7)6(8,9)10/h4H,1-3H3
InChIKeyXQWOHVLSUDFXKM-UHFFFAOYSA-N
MW206.66 g/mol
LogP3.65
Rot. Bonds1

About 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane

2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane (PubChem CID 134832854) has the molecular formula C6H10ClF3S and a molecular weight of 206.66 g/mol. Its IUPAC name is 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane.

Molecular Properties

Compound Name2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane
PubChem CID134832854
Molecular FormulaC6H10ClF3S
Molecular Weight206.66 g/mol
Exact Mass206.01
IUPAC Name2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane
SMILESCC(C)(C)SC(Cl)C(F)(F)F
InChIInChI=1S/C6H10ClF3S/c1-5(2,3)11-4(7)6(8,9)10/h4H,1-3H3
InChIKeyXQWOHVLSUDFXKM-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane?
The IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane (CID 134832854) is 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane.
What is the SMILES notation for 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane?
The canonical SMILES for 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane is CC(C)(C)SC(Cl)C(F)(F)F.
What is the InChIKey of 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane?
The InChIKey is XQWOHVLSUDFXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF3S/c1-5(2,3)11-4(7)6(8,9)10/h4H,1-3H3.
What are the key properties of 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane?
2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane has a molecular weight of 206.66 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-2-methylpropane is sourced from PubChem (CID 134832854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).