(2,2-difluorocyclopropyl)methanesulfinate

C4H5F2O2S- — CID 140533695

IUPAC(2,2-difluorocyclopropyl)methanesulfinate
SMILESO=S([O-])CC1CC1(F)F
InChIInChI=1S/C4H6F2O2S/c5-4(6)1-3(4)2-9(7)8/h3H,1-2H2,(H,7,8)/p-1
InChIKeyVSSSKNWLRVIVLJ-UHFFFAOYSA-M
MW155.14 g/mol
LogP0.52
Rot. Bonds2

About (2,2-difluorocyclopropyl)methanesulfinate

(2,2-difluorocyclopropyl)methanesulfinate (PubChem CID 140533695) has the molecular formula C4H5F2O2S- and a molecular weight of 155.14 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)methanesulfinate.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)methanesulfinate
PubChem CID140533695
Molecular FormulaC4H5F2O2S-
Molecular Weight155.14 g/mol
Exact Mass155.00
IUPAC Name(2,2-difluorocyclopropyl)methanesulfinate
SMILESO=S([O-])CC1CC1(F)F
InChIInChI=1S/C4H6F2O2S/c5-4(6)1-3(4)2-9(7)8/h3H,1-2H2,(H,7,8)/p-1
InChIKeyVSSSKNWLRVIVLJ-UHFFFAOYSA-M
XLogP0.52
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze (2,2-difluorocyclopropyl)methanesulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2-Difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
Sodium 1-(trifluoromethyl)cyclopropanesulfinate
CID 102338379
2-(2,2-Difluorocyclopropyl)ethane-1-sulfonyl chloride
CID 122163794
rac-((1R,2R)-2-(trifluoromethyl)cyclopropyl)methanesulfonyl chloride
CID 145915792
Trifluoromethylsulfonylmethylcyclopropane
CID 69964421
1-Cyclopropyl-2,2,2-trifluoroethanesulfonyl chloride
CID 87400947
1-(Trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
2,2-Difluoro-1-methylcyclopropane-1-sulfinate
CID 118236283
(2,2-Difluorocyclopropyl)methanesulfonamide
CID 154255606
CID 157712601
CID 157712601
Fluoro cyclopropyl(difluoro)methanesulfonate
CID 161043921
(2,2-Difluorocyclopropyl)methyl-oxosulfanium
CID 162540533

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)methanesulfinate?
The IUPAC name of (2,2-difluorocyclopropyl)methanesulfinate (CID 140533695) is (2,2-difluorocyclopropyl)methanesulfinate.
What is the SMILES notation for (2,2-difluorocyclopropyl)methanesulfinate?
The canonical SMILES for (2,2-difluorocyclopropyl)methanesulfinate is O=S([O-])CC1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)methanesulfinate?
The InChIKey is VSSSKNWLRVIVLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6F2O2S/c5-4(6)1-3(4)2-9(7)8/h3H,1-2H2,(H,7,8)/p-1.
What are the key properties of (2,2-difluorocyclopropyl)methanesulfinate?
(2,2-difluorocyclopropyl)methanesulfinate has a molecular weight of 155.14 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)methanesulfinate is sourced from PubChem (CID 140533695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).