(3S)-3-fluorobutane-1-sulfonyl chloride

C4H8ClFO2S — CID 124661264

IUPAC(3S)-3-fluorobutane-1-sulfonyl chloride
SMILESC[C@H](F)CCS(=O)(=O)Cl
InChIInChI=1S/C4H8ClFO2S/c1-4(6)2-3-9(5,7)8/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyFEOLQWPKFMSUDZ-BYPYZUCNSA-N
MW174.62 g/mol
LogP1.30
Rot. Bonds3

About (3S)-3-fluorobutane-1-sulfonyl chloride

(3S)-3-fluorobutane-1-sulfonyl chloride (PubChem CID 124661264) has the molecular formula C4H8ClFO2S and a molecular weight of 174.62 g/mol. Its IUPAC name is (3S)-3-fluorobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name(3S)-3-fluorobutane-1-sulfonyl chloride
PubChem CID124661264
Molecular FormulaC4H8ClFO2S
Molecular Weight174.62 g/mol
Exact Mass173.99
IUPAC Name(3S)-3-fluorobutane-1-sulfonyl chloride
SMILESC[C@H](F)CCS(=O)(=O)Cl
InChIInChI=1S/C4H8ClFO2S/c1-4(6)2-3-9(5,7)8/h4H,2-3H2,1H3/t4-/m0/s1
InChIKeyFEOLQWPKFMSUDZ-BYPYZUCNSA-N
XLogP1.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.62
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butanesulfonyl chloride
CID 75430
Butane-1-sulfonate
CID 3704751
1-Butanesulfonyl fluoride
CID 12615
1-Pentanesulfonyl chloride
CID 237555
Butanesulfonyl chloride, 4-fluoro-
CID 9739
Butane-2-sulfonyl chloride
CID 2757336
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
1-Fluoroethane-1-sulfonyl chloride
CID 23163370
2-Fluoropropane-1-sulfonyl chloride
CID 55263295

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluorobutane-1-sulfonyl chloride?
The IUPAC name of (3S)-3-fluorobutane-1-sulfonyl chloride (CID 124661264) is (3S)-3-fluorobutane-1-sulfonyl chloride.
What is the SMILES notation for (3S)-3-fluorobutane-1-sulfonyl chloride?
The canonical SMILES for (3S)-3-fluorobutane-1-sulfonyl chloride is C[C@H](F)CCS(=O)(=O)Cl.
What is the InChIKey of (3S)-3-fluorobutane-1-sulfonyl chloride?
The InChIKey is FEOLQWPKFMSUDZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8ClFO2S/c1-4(6)2-3-9(5,7)8/h4H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-3-fluorobutane-1-sulfonyl chloride?
(3S)-3-fluorobutane-1-sulfonyl chloride has a molecular weight of 174.62 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluorobutane-1-sulfonyl chloride is sourced from PubChem (CID 124661264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).