2,2-difluorocyclopropane-1-sulfonyl fluoride

C3H3F3O2S — CID 131222362

IUPAC2,2-difluorocyclopropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C1CC1(F)F
InChIInChI=1S/C3H3F3O2S/c4-3(5)1-2(3)9(6,7)8/h2H,1H2
InChIKeyJRHJBGGLTJINDA-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.69
Rot. Bonds1

About 2,2-difluorocyclopropane-1-sulfonyl fluoride

2,2-difluorocyclopropane-1-sulfonyl fluoride (PubChem CID 131222362) has the molecular formula C3H3F3O2S and a molecular weight of 160.12 g/mol. Its IUPAC name is 2,2-difluorocyclopropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2,2-difluorocyclopropane-1-sulfonyl fluoride
PubChem CID131222362
Molecular FormulaC3H3F3O2S
Molecular Weight160.12 g/mol
Exact Mass159.98
IUPAC Name2,2-difluorocyclopropane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C1CC1(F)F
InChIInChI=1S/C3H3F3O2S/c4-3(5)1-2(3)9(6,7)8/h2H,1H2
InChIKeyJRHJBGGLTJINDA-UHFFFAOYSA-N
XLogP0.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluorocyclopropane-1-sulfonyl chloride
CID 130977081
3,3,3-Trifluoropropylenesulfonyl fluoride
CID 118682782
1,1,1,3,3,3-Hexafluoropropane-2-sulfonyl fluoride
CID 13397404
1,2,2,3,3,3-Hexafluoropropane-1-sulfonyl fluoride
CID 13661519
2,2-Difluorocyclopropane-1-sulfonic acid
CID 117899716
2,2-Difluorocyclopropane-1-sulfinate
CID 117899732
3,3-Difluoropropane-1-sulfonyl fluoride
CID 13721940
2,2,3,3,3-Pentafluoropropane-1-sulfonyl fluoride
CID 85914077
2,2,3,3-Tetrafluoropropane-1-sulfonyl fluoride
CID 85914082
2,2-Difluoroethane-1-sulfonyl fluoride
CID 158385246
(1-Fluorocyclopropyl)methanesulfonyl fluoride
CID 165452669
(2,2-Difluorocyclopropyl)methanesulfonyl fluoride
CID 165686056

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclopropane-1-sulfonyl fluoride?
The IUPAC name of 2,2-difluorocyclopropane-1-sulfonyl fluoride (CID 131222362) is 2,2-difluorocyclopropane-1-sulfonyl fluoride.
What is the SMILES notation for 2,2-difluorocyclopropane-1-sulfonyl fluoride?
The canonical SMILES for 2,2-difluorocyclopropane-1-sulfonyl fluoride is O=S(=O)(F)C1CC1(F)F.
What is the InChIKey of 2,2-difluorocyclopropane-1-sulfonyl fluoride?
The InChIKey is JRHJBGGLTJINDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O2S/c4-3(5)1-2(3)9(6,7)8/h2H,1H2.
What are the key properties of 2,2-difluorocyclopropane-1-sulfonyl fluoride?
2,2-difluorocyclopropane-1-sulfonyl fluoride has a molecular weight of 160.12 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclopropane-1-sulfonyl fluoride is sourced from PubChem (CID 131222362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).