2-fluoropropane-2-sulfonyl chloride

C3H6ClFO2S — CID 84651137

IUPAC2-fluoropropane-2-sulfonyl chloride
SMILESCC(C)(F)S(=O)(=O)Cl
InChIInChI=1S/C3H6ClFO2S/c1-3(2,5)8(4,6)7/h1-2H3
InChIKeyQRCIQJUTXRWICY-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.26
Rot. Bonds1

About 2-fluoropropane-2-sulfonyl chloride

2-fluoropropane-2-sulfonyl chloride (PubChem CID 84651137) has the molecular formula C3H6ClFO2S and a molecular weight of 160.60 g/mol. Its IUPAC name is 2-fluoropropane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-fluoropropane-2-sulfonyl chloride
PubChem CID84651137
Molecular FormulaC3H6ClFO2S
Molecular Weight160.60 g/mol
Exact Mass159.98
IUPAC Name2-fluoropropane-2-sulfonyl chloride
SMILESCC(C)(F)S(=O)(=O)Cl
InChIInChI=1S/C3H6ClFO2S/c1-3(2,5)8(4,6)7/h1-2H3
InChIKeyQRCIQJUTXRWICY-UHFFFAOYSA-N
XLogP1.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoropropane-2-sulfonyl chloride 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-fluoropropane-2-sulfonyl chloride?
The IUPAC name of 2-fluoropropane-2-sulfonyl chloride (CID 84651137) is 2-fluoropropane-2-sulfonyl chloride.
What is the SMILES notation for 2-fluoropropane-2-sulfonyl chloride?
The canonical SMILES for 2-fluoropropane-2-sulfonyl chloride is CC(C)(F)S(=O)(=O)Cl.
What is the InChIKey of 2-fluoropropane-2-sulfonyl chloride?
The InChIKey is QRCIQJUTXRWICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClFO2S/c1-3(2,5)8(4,6)7/h1-2H3.
What are the key properties of 2-fluoropropane-2-sulfonyl chloride?
2-fluoropropane-2-sulfonyl chloride has a molecular weight of 160.60 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropane-2-sulfonyl chloride is sourced from PubChem (CID 84651137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).