(4-fluoroanilino)methanesulfinate

C7H7FNO2S- — CID 174543371

IUPAC(4-fluoroanilino)methanesulfinate
SMILESO=S([O-])CNc1ccc(F)cc1
InChIInChI=1S/C7H8FNO2S/c8-6-1-3-7(4-2-6)9-5-12(10)11/h1-4,9H,5H2,(H,10,11)/p-1
InChIKeyBROUIMNGPRZFCZ-UHFFFAOYSA-M
MW188.20 g/mol
LogP1.07
Rot. Bonds3

About (4-fluoroanilino)methanesulfinate

(4-fluoroanilino)methanesulfinate (PubChem CID 174543371) has the molecular formula C7H7FNO2S- and a molecular weight of 188.20 g/mol. Its IUPAC name is (4-fluoroanilino)methanesulfinate.

Molecular Properties

Compound Name(4-fluoroanilino)methanesulfinate
PubChem CID174543371
Molecular FormulaC7H7FNO2S-
Molecular Weight188.20 g/mol
Exact Mass188.02
IUPAC Name(4-fluoroanilino)methanesulfinate
SMILESO=S([O-])CNc1ccc(F)cc1
InChIInChI=1S/C7H8FNO2S/c8-6-1-3-7(4-2-6)9-5-12(10)11/h1-4,9H,5H2,(H,10,11)/p-1
InChIKeyBROUIMNGPRZFCZ-UHFFFAOYSA-M
XLogP1.07
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoroanilino)methanesulfinate?
The IUPAC name of (4-fluoroanilino)methanesulfinate (CID 174543371) is (4-fluoroanilino)methanesulfinate.
What is the SMILES notation for (4-fluoroanilino)methanesulfinate?
The canonical SMILES for (4-fluoroanilino)methanesulfinate is O=S([O-])CNc1ccc(F)cc1.
What is the InChIKey of (4-fluoroanilino)methanesulfinate?
The InChIKey is BROUIMNGPRZFCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8FNO2S/c8-6-1-3-7(4-2-6)9-5-12(10)11/h1-4,9H,5H2,(H,10,11)/p-1.
What are the key properties of (4-fluoroanilino)methanesulfinate?
(4-fluoroanilino)methanesulfinate has a molecular weight of 188.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoroanilino)methanesulfinate is sourced from PubChem (CID 174543371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).