(2,2-difluorocyclopropyl)methanesulfinic acid

C4H6F2O2S — CID 140533696

IUPAC(2,2-difluorocyclopropyl)methanesulfinic acid
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)
InChIKeyVSSSKNWLRVIVLJ-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.86
Rot. Bonds2

About (2,2-difluorocyclopropyl)methanesulfinic acid

(2,2-difluorocyclopropyl)methanesulfinic acid (PubChem CID 140533696) has the molecular formula C4H6F2O2S and a molecular weight of 156.15 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)methanesulfinic acid.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)methanesulfinic acid
PubChem CID140533696
Molecular FormulaC4H6F2O2S
Molecular Weight156.15 g/mol
Exact Mass156.01
IUPAC Name(2,2-difluorocyclopropyl)methanesulfinic acid
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)
InChIKeyVSSSKNWLRVIVLJ-UHFFFAOYSA-N
XLogP0.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,2-Difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
4,4,4-Trifluorobutane-1-sulfinic acid
CID 57210856
3,3,3-Trifluoro-2-(trifluoromethyl)propane-1-sulfonic acid
CID 87154845
3,3-Difluoro-2-(fluoromethyl)propane-1-sulfonic acid
CID 90238925
2,2-Difluorocyclopropanesulfinic acid
CID 117899692
2,2-Difluorocyclopropane-1-sulfonic acid
CID 117899716
3,3,3-Trifluoro-2-methylpropane-1-sulfonic acid
CID 123878790
(2,2-Difluorocyclopropyl)methanesulfinate
CID 140533695
(2,2-Difluorocyclopropyl)methyl-oxosulfanium
CID 162540533
Sodium;hydride;1-(trifluoromethyl)cyclopropane-1-sulfinic acid
CID 174960077
[1-(Trifluoromethyl)cyclopropyl]methanesulfonic acid
CID 175078887
2-(Difluoromethyl)-3,3,3-trifluoropropane-1-sulfonic acid
CID 176887685

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)methanesulfinic acid?
The IUPAC name of (2,2-difluorocyclopropyl)methanesulfinic acid (CID 140533696) is (2,2-difluorocyclopropyl)methanesulfinic acid.
What is the SMILES notation for (2,2-difluorocyclopropyl)methanesulfinic acid?
The canonical SMILES for (2,2-difluorocyclopropyl)methanesulfinic acid is O=S(O)CC1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)methanesulfinic acid?
The InChIKey is VSSSKNWLRVIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O2S/c5-4(6)1-3(4)2-9(7)8/h3H,1-2H2,(H,7,8).
What are the key properties of (2,2-difluorocyclopropyl)methanesulfinic acid?
(2,2-difluorocyclopropyl)methanesulfinic acid has a molecular weight of 156.15 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)methanesulfinic acid is sourced from PubChem (CID 140533696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).