3-fluoropropane-1-sulfonyl chloride

C3H6ClFO2S — CID 21114841

IUPAC3-fluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCF
InChIInChI=1S/C3H6ClFO2S/c4-8(6,7)3-1-2-5/h1-3H2
InChIKeyNSEKXHORSXVZKN-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.91
Rot. Bonds3

About 3-fluoropropane-1-sulfonyl chloride

3-fluoropropane-1-sulfonyl chloride (PubChem CID 21114841) has the molecular formula C3H6ClFO2S and a molecular weight of 160.60 g/mol. Its IUPAC name is 3-fluoropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-fluoropropane-1-sulfonyl chloride
PubChem CID21114841
Molecular FormulaC3H6ClFO2S
Molecular Weight160.60 g/mol
Exact Mass159.98
IUPAC Name3-fluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCF
InChIInChI=1S/C3H6ClFO2S/c4-8(6,7)3-1-2-5/h1-3H2
InChIKeyNSEKXHORSXVZKN-UHFFFAOYSA-N
XLogP0.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanesulfonyl chloride
CID 82408
1-Propanesulfonyl chloride
CID 66279
Butanesulfonyl chloride, 4-fluoro-
CID 9739
Propanesulfonyl fluoride, 3-fluoro-
CID 68033
Ethanesulfonyl chloride, 2-fluoro-
CID 69806
4,4,4-trifluorobutane-1-sulfonyl Chloride
CID 2761176
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
1-Fluoroethane-1-sulfonyl chloride
CID 23163370
2-Fluoropropane-1-sulfonyl chloride
CID 55263295
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
3-Fluorocyclobutane-1-sulfonyl chloride
CID 55263297
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropane-1-sulfonyl chloride?
The IUPAC name of 3-fluoropropane-1-sulfonyl chloride (CID 21114841) is 3-fluoropropane-1-sulfonyl chloride.
What is the SMILES notation for 3-fluoropropane-1-sulfonyl chloride?
The canonical SMILES for 3-fluoropropane-1-sulfonyl chloride is O=S(=O)(Cl)CCCF.
What is the InChIKey of 3-fluoropropane-1-sulfonyl chloride?
The InChIKey is NSEKXHORSXVZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClFO2S/c4-8(6,7)3-1-2-5/h1-3H2.
What are the key properties of 3-fluoropropane-1-sulfonyl chloride?
3-fluoropropane-1-sulfonyl chloride has a molecular weight of 160.60 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropane-1-sulfonyl chloride is sourced from PubChem (CID 21114841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).