(1-fluorocyclopropyl)methanesulfinate

C4H6FO2S- — CID 175085409

IUPAC(1-fluorocyclopropyl)methanesulfinate
SMILESO=S([O-])CC1(F)CC1
InChIInChI=1S/C4H7FO2S/c5-4(1-2-4)3-8(6)7/h1-3H2,(H,6,7)/p-1
InChIKeyGUYRNKAWVHSJNL-UHFFFAOYSA-M
MW137.15 g/mol
LogP0.37
Rot. Bonds2

About (1-fluorocyclopropyl)methanesulfinate

(1-fluorocyclopropyl)methanesulfinate (PubChem CID 175085409) has the molecular formula C4H6FO2S- and a molecular weight of 137.15 g/mol. Its IUPAC name is (1-fluorocyclopropyl)methanesulfinate.

Molecular Properties

Compound Name(1-fluorocyclopropyl)methanesulfinate
PubChem CID175085409
Molecular FormulaC4H6FO2S-
Molecular Weight137.15 g/mol
Exact Mass137.01
IUPAC Name(1-fluorocyclopropyl)methanesulfinate
SMILESO=S([O-])CC1(F)CC1
InChIInChI=1S/C4H7FO2S/c5-4(1-2-4)3-8(6)7/h1-3H2,(H,6,7)/p-1
InChIKeyGUYRNKAWVHSJNL-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'}

Analyze (1-fluorocyclopropyl)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

(1-Fluorocyclopropyl)methanesulfonyl chloride
CID 125424445
2-Fluorocyclopropane-1-sulfinate
CID 118236422
(2,2-Difluorocyclopropyl)methanesulfinate
CID 140533695
cis-(1S,2R)-2-fluorocyclopropane-1-sulfonate
CID 141658741
trans-(1R,2R)-2-fluorocyclopropane-1-sulfinate
CID 141658745
1-(Fluoromethyl)cyclopropane-1-sulfinate
CID 152748881
(1-Fluorocyclopropyl)methyl-oxosulfanium
CID 173935462
(2-Fluorocyclopropyl)methyl-oxosulfanium
CID 173935464
(1-Fluorocyclopropyl)methanesulfonyl fluoride
CID 165452669
(1-Fluorocyclopropyl)methanesulfinyl chloride
CID 165843668
(1-Fluorocyclopropyl)methanesulfinic acid
CID 165863562
Cyclopropylmethanesulfinate
CID 17937319

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)methanesulfinate?
The IUPAC name of (1-fluorocyclopropyl)methanesulfinate (CID 175085409) is (1-fluorocyclopropyl)methanesulfinate.
What is the SMILES notation for (1-fluorocyclopropyl)methanesulfinate?
The canonical SMILES for (1-fluorocyclopropyl)methanesulfinate is O=S([O-])CC1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)methanesulfinate?
The InChIKey is GUYRNKAWVHSJNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7FO2S/c5-4(1-2-4)3-8(6)7/h1-3H2,(H,6,7)/p-1.
What are the key properties of (1-fluorocyclopropyl)methanesulfinate?
(1-fluorocyclopropyl)methanesulfinate 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-fluorocyclopropyl)methanesulfinate is sourced from PubChem (CID 175085409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).