(difluoroamino)methanesulfinic acid

CH3F2NO2S — CID 175743746

IUPAC(difluoroamino)methanesulfinic acid
SMILESO=S(O)CN(F)F
InChIInChI=1S/CH3F2NO2S/c2-4(3)1-7(5)6/h1H2,(H,5,6)
InChIKeyRLYMCOBCUBOXJK-UHFFFAOYSA-N
MW131.10 g/mol
LogP0.24
Rot. Bonds2

About (difluoroamino)methanesulfinic acid

(difluoroamino)methanesulfinic acid (PubChem CID 175743746) has the molecular formula CH3F2NO2S and a molecular weight of 131.10 g/mol. Its IUPAC name is (difluoroamino)methanesulfinic acid.

Molecular Properties

Compound Name(difluoroamino)methanesulfinic acid
PubChem CID175743746
Molecular FormulaCH3F2NO2S
Molecular Weight131.10 g/mol
Exact Mass130.99
IUPAC Name(difluoroamino)methanesulfinic acid
SMILESO=S(O)CN(F)F
InChIInChI=1S/CH3F2NO2S/c2-4(3)1-7(5)6/h1H2,(H,5,6)
InChIKeyRLYMCOBCUBOXJK-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.10
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (difluoroamino)methanesulfinic acid?
The IUPAC name of (difluoroamino)methanesulfinic acid (CID 175743746) is (difluoroamino)methanesulfinic acid.
What is the SMILES notation for (difluoroamino)methanesulfinic acid?
The canonical SMILES for (difluoroamino)methanesulfinic acid is O=S(O)CN(F)F.
What is the InChIKey of (difluoroamino)methanesulfinic acid?
The InChIKey is RLYMCOBCUBOXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3F2NO2S/c2-4(3)1-7(5)6/h1H2,(H,5,6).
What are the key properties of (difluoroamino)methanesulfinic acid?
(difluoroamino)methanesulfinic acid has a molecular weight of 131.10 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (difluoroamino)methanesulfinic acid is sourced from PubChem (CID 175743746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).