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

C4H3ClF6O2S — CID 103311335

IUPAC3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3ClF6O2S/c5-14(12,13)1-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKeyWSDVKYWGUFEECR-UHFFFAOYSA-N
MW264.57 g/mol
LogP2.30
Rot. Bonds2

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

3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride (PubChem CID 103311335) has the molecular formula C4H3ClF6O2S and a molecular weight of 264.57 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
PubChem CID103311335
Molecular FormulaC4H3ClF6O2S
Molecular Weight264.57 g/mol
Exact Mass263.94
IUPAC Name3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3ClF6O2S/c5-14(12,13)1-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKeyWSDVKYWGUFEECR-UHFFFAOYSA-N
XLogP2.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.57
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
CID 105484134
3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
CID 170915267
butane;3,4,4,4-tetrafluoro-2-(trifluoromethyl)butane-1-sulfonyl chloride
CID 161480767
2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
CID 19786045
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride
CID 102723439
1,1,1-trifluoro-2-(trifluoromethyl)-4,4-bis(trifluoromethylsulfonyl)butane
CID 139244923
2,3,3-trimethylbutane-1-sulfonyl chloride
CID 83637644
1-chloroethane-1,2-disulfonyl chloride
CID 87546755
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
CID 10375280
3-chloropropane-1,2-disulfonyl chloride
CID 56607494
azane;trifluoromethanesulfonyl chloride
CID 87630754
3-bromo-3,3-difluoropropane-1-sulfonyl chloride
CID 154577329

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride?
The IUPAC name of 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride (CID 103311335) is 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride?
The canonical SMILES for 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride is O=S(=O)(Cl)CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride?
The InChIKey is WSDVKYWGUFEECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF6O2S/c5-14(12,13)1-2(3(6,7)8)4(9,10)11/h2H,1H2.
What are the key properties of 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride?
3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride has a molecular weight of 264.57 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride is sourced from PubChem (CID 103311335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).