3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride

C5H8ClF3O3S — CID 170915267

IUPAC3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
SMILESCOCC(CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C5H8ClF3O3S/c1-12-2-4(5(7,8)9)3-13(6,10)11/h4H,2-3H2,1H3
InChIKeyXJTXMDKXLWMMHX-UHFFFAOYSA-N
MW240.63 g/mol
LogP1.38
Rot. Bonds4

About 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride

3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride (PubChem CID 170915267) has the molecular formula C5H8ClF3O3S and a molecular weight of 240.63 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
PubChem CID170915267
Molecular FormulaC5H8ClF3O3S
Molecular Weight240.63 g/mol
Exact Mass239.98
IUPAC Name3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
SMILESCOCC(CS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C5H8ClF3O3S/c1-12-2-4(5(7,8)9)3-13(6,10)11/h4H,2-3H2,1H3
InChIKeyXJTXMDKXLWMMHX-UHFFFAOYSA-N
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.63
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-(methoxymethyl)propane-1-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

Related Compounds

3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
CID 105484134
4,4,4-trifluoro-3-(methoxymethyl)butanoic acid
CID 82405962
3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
CID 103311335
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride
CID 102723439
1,3-dimethoxypropane-2-sulfonyl chloride
CID 122163174
3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
CID 165499020
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800
butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride
CID 161480767
methyl 3-chlorosulfonyl-2-hydroxypropanoate
CID 130593524
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride?
The IUPAC name of 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride (CID 170915267) is 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride?
The canonical SMILES for 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride is COCC(CS(=O)(=O)Cl)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride?
The InChIKey is XJTXMDKXLWMMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF3O3S/c1-12-2-4(5(7,8)9)3-13(6,10)11/h4H,2-3H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride?
3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride has a molecular weight of 240.63 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride is sourced from PubChem (CID 170915267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).