CID 58998110

C5H4F3NO — CID 58998110

IUPAC—
SMILES[CH]NC(=O)C(=C)C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-3(4(10)9-2)5(6,7)8/h2H,1H2,(H,9,10)
InChIKeyJTZKFPMYAWHWMV-UHFFFAOYSA-N
MW151.09 g/mol
LogP0.89
Rot. Bonds1

About CID 58998110

CID 58998110 (PubChem CID 58998110) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol.

Molecular Properties

Compound NameCID 58998110
PubChem CID58998110
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name—
SMILES[CH]NC(=O)C(=C)C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-3(4(10)9-2)5(6,7)8/h2H,1H2,(H,9,10)
InChIKeyJTZKFPMYAWHWMV-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58998110?
The IUPAC name of CID 58998110 (CID 58998110) is not available.
What is the SMILES notation for CID 58998110?
The canonical SMILES for CID 58998110 is [CH]NC(=O)C(=C)C(F)(F)F.
What is the InChIKey of CID 58998110?
The InChIKey is JTZKFPMYAWHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c1-3(4(10)9-2)5(6,7)8/h2H,1H2,(H,9,10).
What are the key properties of CID 58998110?
CID 58998110 has a molecular weight of 151.09 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998110 is sourced from PubChem (CID 58998110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).