1,2,4-trifluorobutane-1-sulfonyl chloride

C4H6ClF3O2S — CID 87697951

IUPAC1,2,4-trifluorobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C(F)C(F)CCF
InChIInChI=1S/C4H6ClF3O2S/c5-11(9,10)4(8)3(7)1-2-6/h3-4H,1-2H2
InChIKeyDVNYGDFEPGXHNB-UHFFFAOYSA-N
MW210.60 g/mol
LogP1.55
Rot. Bonds4

About 1,2,4-trifluorobutane-1-sulfonyl chloride

1,2,4-trifluorobutane-1-sulfonyl chloride (PubChem CID 87697951) has the molecular formula C4H6ClF3O2S and a molecular weight of 210.60 g/mol. Its IUPAC name is 1,2,4-trifluorobutane-1-sulfonyl chloride.

Molecular Properties

Compound Name1,2,4-trifluorobutane-1-sulfonyl chloride
PubChem CID87697951
Molecular FormulaC4H6ClF3O2S
Molecular Weight210.60 g/mol
Exact Mass209.97
IUPAC Name1,2,4-trifluorobutane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C(F)C(F)CCF
InChIInChI=1S/C4H6ClF3O2S/c5-11(9,10)4(8)3(7)1-2-6/h3-4H,1-2H2
InChIKeyDVNYGDFEPGXHNB-UHFFFAOYSA-N
XLogP1.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.60
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butanesulfonyl chloride, 4-fluoro-
CID 9739
Propanesulfonyl fluoride, 3-fluoro-
CID 68033
Ethanesulfonyl chloride, 2-fluoro-
CID 69806
1-Hexanesulfonyl chloride, 3,3,4,4,5,5,6,6,6-nonafluoro-
CID 119684
Butanesulfonyl fluoride, 4-fluoro-
CID 12616
3,3-Difluorocyclobutane-1-sulfonyl chloride
CID 58557426
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
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
3,3-Difluorocyclopentane-1-sulfonyl chloride
CID 53417174
2-Fluoropropane-1-sulfonyl chloride
CID 55263295

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluorobutane-1-sulfonyl chloride?
The IUPAC name of 1,2,4-trifluorobutane-1-sulfonyl chloride (CID 87697951) is 1,2,4-trifluorobutane-1-sulfonyl chloride.
What is the SMILES notation for 1,2,4-trifluorobutane-1-sulfonyl chloride?
The canonical SMILES for 1,2,4-trifluorobutane-1-sulfonyl chloride is O=S(=O)(Cl)C(F)C(F)CCF.
What is the InChIKey of 1,2,4-trifluorobutane-1-sulfonyl chloride?
The InChIKey is DVNYGDFEPGXHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O2S/c5-11(9,10)4(8)3(7)1-2-6/h3-4H,1-2H2.
What are the key properties of 1,2,4-trifluorobutane-1-sulfonyl chloride?
1,2,4-trifluorobutane-1-sulfonyl chloride has a molecular weight of 210.60 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluorobutane-1-sulfonyl chloride is sourced from PubChem (CID 87697951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).