3,3-difluoropropane-1-sulfonyl chloride

C3H5ClF2O2S — CID 55263296

IUPAC3,3-difluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCC(F)F
InChIInChI=1S/C3H5ClF2O2S/c4-9(7,8)2-1-3(5)6/h3H,1-2H2
InChIKeyYOACIDRNEANCHK-UHFFFAOYSA-N
MW178.59 g/mol
LogP1.21
Rot. Bonds3

About 3,3-difluoropropane-1-sulfonyl chloride

3,3-difluoropropane-1-sulfonyl chloride (PubChem CID 55263296) has the molecular formula C3H5ClF2O2S and a molecular weight of 178.59 g/mol. Its IUPAC name is 3,3-difluoropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3,3-difluoropropane-1-sulfonyl chloride
PubChem CID55263296
Molecular FormulaC3H5ClF2O2S
Molecular Weight178.59 g/mol
Exact Mass177.97
IUPAC Name3,3-difluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCC(F)F
InChIInChI=1S/C3H5ClF2O2S/c4-9(7,8)2-1-3(5)6/h3H,1-2H2
InChIKeyYOACIDRNEANCHK-UHFFFAOYSA-N
XLogP1.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropropane-1-sulfonyl chloride?
The IUPAC name of 3,3-difluoropropane-1-sulfonyl chloride (CID 55263296) is 3,3-difluoropropane-1-sulfonyl chloride.
What is the SMILES notation for 3,3-difluoropropane-1-sulfonyl chloride?
The canonical SMILES for 3,3-difluoropropane-1-sulfonyl chloride is O=S(=O)(Cl)CCC(F)F.
What is the InChIKey of 3,3-difluoropropane-1-sulfonyl chloride?
The InChIKey is YOACIDRNEANCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2O2S/c4-9(7,8)2-1-3(5)6/h3H,1-2H2.
What are the key properties of 3,3-difluoropropane-1-sulfonyl chloride?
3,3-difluoropropane-1-sulfonyl chloride has a molecular weight of 178.59 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropane-1-sulfonyl chloride is sourced from PubChem (CID 55263296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).