3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride

C5H7ClF4O2S — CID 87159235

IUPAC3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride
SMILESCC(F)(CCS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C5H7ClF4O2S/c1-4(7,5(8,9)10)2-3-13(6,11)12/h2-3H2,1H3
InChIKeyUDDZARNYMTWUDW-UHFFFAOYSA-N
MW242.62 g/mol
LogP2.24
Rot. Bonds3

About 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride

3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride (PubChem CID 87159235) has the molecular formula C5H7ClF4O2S and a molecular weight of 242.62 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride
PubChem CID87159235
Molecular FormulaC5H7ClF4O2S
Molecular Weight242.62 g/mol
Exact Mass241.98
IUPAC Name3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride
SMILESCC(F)(CCS(=O)(=O)Cl)C(F)(F)F
InChIInChI=1S/C5H7ClF4O2S/c1-4(7,5(8,9)10)2-3-13(6,11)12/h2-3H2,1H3
InChIKeyUDDZARNYMTWUDW-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.62
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686
2,2-Difluoropropane-1-sulfonyl chloride
CID 84656710
4,4-Difluorobutane-1-sulfonyl chloride
CID 84664402
3,3-Difluorobutane-1-sulfonyl chloride
CID 84664403
3,3,3-Trifluoro-2-methylpropane-1-sulfonyl chloride
CID 84723207
2,2-Difluorobutane-1-sulfonyl chloride
CID 105446602
3,3,4,4,4-Pentafluorobutane-1-sulfonyl chloride
CID 55279085
3,3-Difluoro-2,2-dimethylpropane-1-sulfonyl chloride
CID 84674725
4,4-Difluoro-2-methylbutane-1-sulfonyl chloride
CID 84722343
4,4,4-Trifluoro-2-methylbutane-1-sulfonyl chloride
CID 84725559

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride?
The IUPAC name of 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride (CID 87159235) is 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride is CC(F)(CCS(=O)(=O)Cl)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride?
The InChIKey is UDDZARNYMTWUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF4O2S/c1-4(7,5(8,9)10)2-3-13(6,11)12/h2-3H2,1H3.
What are the key properties of 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride?
3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride has a molecular weight of 242.62 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-methylbutane-1-sulfonyl chloride is sourced from PubChem (CID 87159235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).