5,5,5-trifluoropentane-1-sulfonyl chloride

C5H8ClF3O2S — CID 56604710

IUPAC5,5,5-trifluoropentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCC(F)(F)F
InChIInChI=1S/C5H8ClF3O2S/c6-12(10,11)4-2-1-3-5(7,8)9/h1-4H2
InChIKeyUBXGNBBPHWQKJR-UHFFFAOYSA-N
MW224.63 g/mol
LogP2.29
Rot. Bonds4

About 5,5,5-trifluoropentane-1-sulfonyl chloride

5,5,5-trifluoropentane-1-sulfonyl chloride (PubChem CID 56604710) has the molecular formula C5H8ClF3O2S and a molecular weight of 224.63 g/mol. Its IUPAC name is 5,5,5-trifluoropentane-1-sulfonyl chloride.

Molecular Properties

Compound Name5,5,5-trifluoropentane-1-sulfonyl chloride
PubChem CID56604710
Molecular FormulaC5H8ClF3O2S
Molecular Weight224.63 g/mol
Exact Mass223.99
IUPAC Name5,5,5-trifluoropentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCC(F)(F)F
InChIInChI=1S/C5H8ClF3O2S/c6-12(10,11)4-2-1-3-5(7,8)9/h1-4H2
InChIKeyUBXGNBBPHWQKJR-UHFFFAOYSA-N
XLogP2.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.63
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Butanesulfonyl chloride, 4-fluoro-
CID 9739
1-Heptanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,7-undecafluoro-
CID 103439
1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
Hexanesulfonyl fluoride, 6-fluoro-
CID 9748
Butanesulfonyl fluoride, 4-fluoro-
CID 12616
Pentanesulfonyl fluoride, 5-fluoro-
CID 67797
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
4:2 Fluorotelomer sulfonate
CID 20734542
Hexanesulfonyl chloride, 6-fluoro-
CID 9747
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoropentane-1-sulfonyl chloride?
The IUPAC name of 5,5,5-trifluoropentane-1-sulfonyl chloride (CID 56604710) is 5,5,5-trifluoropentane-1-sulfonyl chloride.
What is the SMILES notation for 5,5,5-trifluoropentane-1-sulfonyl chloride?
The canonical SMILES for 5,5,5-trifluoropentane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoropentane-1-sulfonyl chloride?
The InChIKey is UBXGNBBPHWQKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF3O2S/c6-12(10,11)4-2-1-3-5(7,8)9/h1-4H2.
What are the key properties of 5,5,5-trifluoropentane-1-sulfonyl chloride?
5,5,5-trifluoropentane-1-sulfonyl chloride has a molecular weight of 224.63 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropentane-1-sulfonyl chloride is sourced from PubChem (CID 56604710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).