1,1-difluoropropane-2-sulfonyl chloride

C3H5ClF2O2S — CID 122163554

IUPAC1,1-difluoropropane-2-sulfonyl chloride
SMILESCC(C(F)F)S(=O)(=O)Cl
InChIInChI=1S/C3H5ClF2O2S/c1-2(3(5)6)9(4,7)8/h2-3H,1H3
InChIKeyFZWOMFOPWKSZJE-UHFFFAOYSA-N
MW178.59 g/mol
LogP1.21
Rot. Bonds2

About 1,1-difluoropropane-2-sulfonyl chloride

1,1-difluoropropane-2-sulfonyl chloride (PubChem CID 122163554) has the molecular formula C3H5ClF2O2S and a molecular weight of 178.59 g/mol. Its IUPAC name is 1,1-difluoropropane-2-sulfonyl chloride.

Molecular Properties

Compound Name1,1-difluoropropane-2-sulfonyl chloride
PubChem CID122163554
Molecular FormulaC3H5ClF2O2S
Molecular Weight178.59 g/mol
Exact Mass177.97
IUPAC Name1,1-difluoropropane-2-sulfonyl chloride
SMILESCC(C(F)F)S(=O)(=O)Cl
InChIInChI=1S/C3H5ClF2O2S/c1-2(3(5)6)9(4,7)8/h2-3H,1H3
InChIKeyFZWOMFOPWKSZJE-UHFFFAOYSA-N
XLogP1.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.59
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoroethanesulfonyl chloride
CID 74242
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
2,2,3,3-Tetrafluoropropane-1-sulfonyl chloride
CID 21498346
4,4,5,5,5-Pentafluoropentane-1-sulfonyl chloride
CID 21973190
1-Fluoroethane-1-sulfonyl chloride
CID 23163370
2,2-Difluoroethanesulfonyl chloride
CID 50989405
2-Fluoropropane-1-sulfonyl chloride
CID 55263295
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
2,2,3,3,3-Pentafluoropropane-1-sulfonyl chloride
CID 71758125

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropane-2-sulfonyl chloride?
The IUPAC name of 1,1-difluoropropane-2-sulfonyl chloride (CID 122163554) is 1,1-difluoropropane-2-sulfonyl chloride.
What is the SMILES notation for 1,1-difluoropropane-2-sulfonyl chloride?
The canonical SMILES for 1,1-difluoropropane-2-sulfonyl chloride is CC(C(F)F)S(=O)(=O)Cl.
What is the InChIKey of 1,1-difluoropropane-2-sulfonyl chloride?
The InChIKey is FZWOMFOPWKSZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2O2S/c1-2(3(5)6)9(4,7)8/h2-3H,1H3.
What are the key properties of 1,1-difluoropropane-2-sulfonyl chloride?
1,1-difluoropropane-2-sulfonyl chloride has a molecular weight of 178.59 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropane-2-sulfonyl chloride is sourced from PubChem (CID 122163554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).