CID 174488780

C3HF9O2S — CID 174488780

IUPAC—
SMILESFC(F)(F)C(F)(F)C(F)(F)F.O=S([O-])F.[H+]
InChIInChI=1S/C3F8.FHO2S/c4-1(5,2(6,7)8)3(9,10)11;1-4(2)3/h;(H,2,3)
InChIKeyPLHWNSUZLOOUBQ-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.61
Rot. Bonds

About CID 174488780

CID 174488780 (PubChem CID 174488780) has the molecular formula C3HF9O2S and a molecular weight of 272.09 g/mol.

Molecular Properties

Compound NameCID 174488780
PubChem CID174488780
Molecular FormulaC3HF9O2S
Molecular Weight272.09 g/mol
Exact Mass271.96
IUPAC Name—
SMILESFC(F)(F)C(F)(F)C(F)(F)F.O=S([O-])F.[H+]
InChIInChI=1S/C3F8.FHO2S/c4-1(5,2(6,7)8)3(9,10)11;1-4(2)3/h;(H,2,3)
InChIKeyPLHWNSUZLOOUBQ-UHFFFAOYSA-N
XLogP2.61
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174488780?
The IUPAC name of CID 174488780 (CID 174488780) is not available.
What is the SMILES notation for CID 174488780?
The canonical SMILES for CID 174488780 is FC(F)(F)C(F)(F)C(F)(F)F.O=S([O-])F.[H+].
What is the InChIKey of CID 174488780?
The InChIKey is PLHWNSUZLOOUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8.FHO2S/c4-1(5,2(6,7)8)3(9,10)11;1-4(2)3/h;(H,2,3).
What are the key properties of CID 174488780?
CID 174488780 has a molecular weight of 272.09 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174488780 is sourced from PubChem (CID 174488780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).