fluoro(phenyl)methanesulfinate

C7H6FO2S- — CID 18935920

IUPACfluoro(phenyl)methanesulfinate
SMILESO=S([O-])C(F)c1ccccc1
InChIInChI=1S/C7H7FO2S/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)/p-1
InChIKeyVWZPNVLQDZLYCQ-UHFFFAOYSA-M
MW173.19 g/mol
LogP1.53
Rot. Bonds2

About fluoro(phenyl)methanesulfinate

fluoro(phenyl)methanesulfinate (PubChem CID 18935920) has the molecular formula C7H6FO2S- and a molecular weight of 173.19 g/mol. Its IUPAC name is fluoro(phenyl)methanesulfinate.

Molecular Properties

Compound Namefluoro(phenyl)methanesulfinate
PubChem CID18935920
Molecular FormulaC7H6FO2S-
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Namefluoro(phenyl)methanesulfinate
SMILESO=S([O-])C(F)c1ccccc1
InChIInChI=1S/C7H7FO2S/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)/p-1
InChIKeyVWZPNVLQDZLYCQ-UHFFFAOYSA-M
XLogP1.53
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluoro(phenyl)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

bis(methylsulfinyl)methylbenzene
CID 173250906
1-phenylethanesulfinate;sulfuric acid
CID 174523812
[fluoro(fluoro)methyl]benzene
CID 146164458
CID 68539443
CID 68539443
[amino(phenyl)methyl] sulfite
CID 174667651
[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636
4,4-diphenylbutane-1-sulfinate
CID 67315060
naphthalen-1-yl(phenyl)methanesulfinate
CID 68567168
hydrogen sulfite;phenylsilane
CID 175038327
diphenylmethanesulfinyl chloride
CID 140576973
(2S)-2-fluoro-2-phenylacetic acid
CID 7003723
2-(benzenesulfinyl)-2-fluoro-1-phenylethanol
CID 10967379

Frequently Asked Questions

What is the IUPAC name of fluoro(phenyl)methanesulfinate?
The IUPAC name of fluoro(phenyl)methanesulfinate (CID 18935920) is fluoro(phenyl)methanesulfinate.
What is the SMILES notation for fluoro(phenyl)methanesulfinate?
The canonical SMILES for fluoro(phenyl)methanesulfinate is O=S([O-])C(F)c1ccccc1.
What is the InChIKey of fluoro(phenyl)methanesulfinate?
The InChIKey is VWZPNVLQDZLYCQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7FO2S/c8-7(11(9)10)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)/p-1.
What are the key properties of fluoro(phenyl)methanesulfinate?
fluoro(phenyl)methanesulfinate has a molecular weight of 173.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(phenyl)methanesulfinate is sourced from PubChem (CID 18935920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).