2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride

C3H2ClF5O2S — CID 71758125

IUPAC2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2ClF5O2S/c4-12(10,11)1-2(5,6)3(7,8)9/h1H2
InChIKeyNPSRGYNPIJYHGU-UHFFFAOYSA-N
MW232.56 g/mol
LogP1.75
Rot. Bonds2

About 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride

2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride (PubChem CID 71758125) has the molecular formula C3H2ClF5O2S and a molecular weight of 232.56 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride
PubChem CID71758125
Molecular FormulaC3H2ClF5O2S
Molecular Weight232.56 g/mol
Exact Mass231.94
IUPAC Name2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H2ClF5O2S/c4-12(10,11)1-2(5,6)3(7,8)9/h1H2
InChIKeyNPSRGYNPIJYHGU-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.56
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanesulfonyl fluoride, 1,2,2,2-tetrafluoro-
CID 160613
2,2,2-Trifluoroethanesulfonyl chloride
CID 74242
2,2,2-Trifluoroethanesulfonyl fluoride
CID 12929868
1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
Hexafluoro-isopropylsulfonic acid
CID 14637647
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
2,2,3,3-Tetrafluoropropane-1-sulfonyl chloride
CID 21498346
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
2,2-Difluoroethanesulfonyl chloride
CID 50989405
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride?
The IUPAC name of 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride (CID 71758125) is 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride?
The canonical SMILES for 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride is O=S(=O)(Cl)CC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride?
The InChIKey is NPSRGYNPIJYHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF5O2S/c4-12(10,11)1-2(5,6)3(7,8)9/h1H2.
What are the key properties of 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride?
2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride has a molecular weight of 232.56 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride is sourced from PubChem (CID 71758125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).