CID 175223737

C2H4FO3S- — CID 175223737

IUPAC—
SMILESC=CO.O=S([O-])F
InChIInChI=1S/C2H4O.FHO2S/c1-2-3;1-4(2)3/h2-3H,1H2;(H,2,3)/p-1
InChIKeyNPHCZKBJZQYCHZ-UHFFFAOYSA-M
MW127.12 g/mol
LogP0.44
Rot. Bonds

About CID 175223737

CID 175223737 (PubChem CID 175223737) has the molecular formula C2H4FO3S- and a molecular weight of 127.12 g/mol.

Molecular Properties

Compound NameCID 175223737
PubChem CID175223737
Molecular FormulaC2H4FO3S-
Molecular Weight127.12 g/mol
Exact Mass126.99
IUPAC Name—
SMILESC=CO.O=S([O-])F
InChIInChI=1S/C2H4O.FHO2S/c1-2-3;1-4(2)3/h2-3H,1H2;(H,2,3)/p-1
InChIKeyNPHCZKBJZQYCHZ-UHFFFAOYSA-M
XLogP0.44
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175223737?
The IUPAC name of CID 175223737 (CID 175223737) is not available.
What is the SMILES notation for CID 175223737?
The canonical SMILES for CID 175223737 is C=CO.O=S([O-])F.
What is the InChIKey of CID 175223737?
The InChIKey is NPHCZKBJZQYCHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O.FHO2S/c1-2-3;1-4(2)3/h2-3H,1H2;(H,2,3)/p-1.
What are the key properties of CID 175223737?
CID 175223737 has a molecular weight of 127.12 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175223737 is sourced from PubChem (CID 175223737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).