5-fluoropentane-1-sulfonyl chloride

C5H10ClFO2S — CID 3029710

IUPAC5-fluoropentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCF
InChIInChI=1S/C5H10ClFO2S/c6-10(8,9)5-3-1-2-4-7/h1-5H2
InChIKeyPJUGRUHVPVYZRK-UHFFFAOYSA-N
MW188.65 g/mol
LogP1.69
Rot. Bonds5

About 5-fluoropentane-1-sulfonyl chloride

5-fluoropentane-1-sulfonyl chloride (PubChem CID 3029710) has the molecular formula C5H10ClFO2S and a molecular weight of 188.65 g/mol. Its IUPAC name is 5-fluoropentane-1-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoropentane-1-sulfonyl chloride
PubChem CID3029710
Molecular FormulaC5H10ClFO2S
Molecular Weight188.65 g/mol
Exact Mass188.01
IUPAC Name5-fluoropentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCF
InChIInChI=1S/C5H10ClFO2S/c6-10(8,9)5-3-1-2-4-7/h1-5H2
InChIKeyPJUGRUHVPVYZRK-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 51.69
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

1-Pentanesulfonyl chloride
CID 237555
Butanesulfonyl chloride, 4-fluoro-
CID 9739
Hexanesulfonyl fluoride, 6-fluoro-
CID 9748
Pentanesulfonyl fluoride, 5-fluoro-
CID 67797
(1-Fluorocyclobutyl)methanesulfonyl chloride
CID 119031264
Pentane-2-sulfonyl chloride
CID 2760314
Pentane-3-sulfonyl chloride
CID 20481917
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
Hexanesulfonyl chloride, 6-fluoro-
CID 9747
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
3-Fluorocyclopentane-1-sulfonyl chloride
CID 55263425
5-Fluoropentane-1-sulfonamide
CID 90989561

Frequently Asked Questions

What is the IUPAC name of 5-fluoropentane-1-sulfonyl chloride?
The IUPAC name of 5-fluoropentane-1-sulfonyl chloride (CID 3029710) is 5-fluoropentane-1-sulfonyl chloride.
What is the SMILES notation for 5-fluoropentane-1-sulfonyl chloride?
The canonical SMILES for 5-fluoropentane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCCF.
What is the InChIKey of 5-fluoropentane-1-sulfonyl chloride?
The InChIKey is PJUGRUHVPVYZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClFO2S/c6-10(8,9)5-3-1-2-4-7/h1-5H2.
What are the key properties of 5-fluoropentane-1-sulfonyl chloride?
5-fluoropentane-1-sulfonyl chloride has a molecular weight of 188.65 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropentane-1-sulfonyl chloride is sourced from PubChem (CID 3029710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).