CID 177450711

C2F2O — CID 177450711

IUPAC—
SMILESO=C(F)[C]F
InChIInChI=1S/C2F2O/c3-1-2(4)5
InChIKeyDAKYDTRAQBDIOH-UHFFFAOYSA-N
MW78.02 g/mol
LogP0.49
Rot. Bonds1

About CID 177450711

CID 177450711 (PubChem CID 177450711) has the molecular formula C2F2O and a molecular weight of 78.02 g/mol.

Molecular Properties

Compound NameCID 177450711
PubChem CID177450711
Molecular FormulaC2F2O
Molecular Weight78.02 g/mol
Exact Mass77.99
IUPAC Name—
SMILESO=C(F)[C]F
InChIInChI=1S/C2F2O/c3-1-2(4)5
InChIKeyDAKYDTRAQBDIOH-UHFFFAOYSA-N
XLogP0.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.02
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177450711?
The IUPAC name of CID 177450711 (CID 177450711) is not available.
What is the SMILES notation for CID 177450711?
The canonical SMILES for CID 177450711 is O=C(F)[C]F.
What is the InChIKey of CID 177450711?
The InChIKey is DAKYDTRAQBDIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F2O/c3-1-2(4)5.
What are the key properties of CID 177450711?
CID 177450711 has a molecular weight of 78.02 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177450711 is sourced from PubChem (CID 177450711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).