1-(fluoromethyl)cyclopropane-1-sulfinate

C4H6FO2S- — CID 152748881

IUPAC1-(fluoromethyl)cyclopropane-1-sulfinate
SMILESO=S([O-])C1(CF)CC1
InChIInChI=1S/C4H7FO2S/c5-3-4(1-2-4)8(6)7/h1-3H2,(H,6,7)/p-1
InChIKeyNRXCCCDQUNYZCN-UHFFFAOYSA-M
MW137.15 g/mol
LogP0.37
Rot. Bonds2

About 1-(fluoromethyl)cyclopropane-1-sulfinate

1-(fluoromethyl)cyclopropane-1-sulfinate (PubChem CID 152748881) has the molecular formula C4H6FO2S- and a molecular weight of 137.15 g/mol. Its IUPAC name is 1-(fluoromethyl)cyclopropane-1-sulfinate.

Molecular Properties

Compound Name1-(fluoromethyl)cyclopropane-1-sulfinate
PubChem CID152748881
Molecular FormulaC4H6FO2S-
Molecular Weight137.15 g/mol
Exact Mass137.01
IUPAC Name1-(fluoromethyl)cyclopropane-1-sulfinate
SMILESO=S([O-])C1(CF)CC1
InChIInChI=1S/C4H7FO2S/c5-3-4(1-2-4)8(6)7/h1-3H2,(H,6,7)/p-1
InChIKeyNRXCCCDQUNYZCN-UHFFFAOYSA-M
XLogP0.37
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sodium 1-(trifluoromethyl)cyclopropanesulfinate
CID 102338379
Sodium 1-fluorocyclopropane-1-sulfinate
CID 146441984
1-(Trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
2,2-Difluoro-1-methylcyclopropane-1-sulfinate
CID 118236283
1-Fluorocyclopropane-1-sulfinate
CID 118589486
(1-Fluorocyclopropyl)methanesulfinate
CID 175085409
1-(Fluoromethyl)cyclopropane-1-sulfinic acid
CID 148682531
1-Methylcyclopropane-1-sulfinate
CID 57197121
Sodium (1-fluorocyclopropyl)methanesulfinate
CID 165863561

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)cyclopropane-1-sulfinate?
The IUPAC name of 1-(fluoromethyl)cyclopropane-1-sulfinate (CID 152748881) is 1-(fluoromethyl)cyclopropane-1-sulfinate.
What is the SMILES notation for 1-(fluoromethyl)cyclopropane-1-sulfinate?
The canonical SMILES for 1-(fluoromethyl)cyclopropane-1-sulfinate is O=S([O-])C1(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)cyclopropane-1-sulfinate?
The InChIKey is NRXCCCDQUNYZCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7FO2S/c5-3-4(1-2-4)8(6)7/h1-3H2,(H,6,7)/p-1.
What are the key properties of 1-(fluoromethyl)cyclopropane-1-sulfinate?
1-(fluoromethyl)cyclopropane-1-sulfinate has a molecular weight of 137.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)cyclopropane-1-sulfinate is sourced from PubChem (CID 152748881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).