5-(trifluoromethyl)furo[3,2-g]chromen-7-one

C12H5F3O3 — CID 25169057

IUPAC5-(trifluoromethyl)furo[3,2-g]chromen-7-one
SMILESO=c1cc(C(F)(F)F)c2cc3ccoc3cc2o1
InChIInChI=1S/C12H5F3O3/c13-12(14,15)8-4-11(16)18-10-5-9-6(1-2-17-9)3-7(8)10/h1-5H
InChIKeyOVGQNUOYCUHROY-UHFFFAOYSA-N
MW254.16 g/mol
LogP3.56
Rot. Bonds

About 5-(trifluoromethyl)furo[3,2-g]chromen-7-one

5-(trifluoromethyl)furo[3,2-g]chromen-7-one (PubChem CID 25169057) has the molecular formula C12H5F3O3 and a molecular weight of 254.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name5-(trifluoromethyl)furo[3,2-g]chromen-7-one
PubChem CID25169057
Molecular FormulaC12H5F3O3
Molecular Weight254.16 g/mol
Exact Mass254.02
IUPAC Name5-(trifluoromethyl)furo[3,2-g]chromen-7-one
SMILESO=c1cc(C(F)(F)F)c2cc3ccoc3cc2o1
InChIInChI=1S/C12H5F3O3/c13-12(14,15)8-4-11(16)18-10-5-9-6(1-2-17-9)3-7(8)10/h1-5H
InChIKeyOVGQNUOYCUHROY-UHFFFAOYSA-N
XLogP3.56
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)furo[3,2-g]chromen-7-one?
The IUPAC name of 5-(trifluoromethyl)furo[3,2-g]chromen-7-one (CID 25169057) is 5-(trifluoromethyl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 5-(trifluoromethyl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 5-(trifluoromethyl)furo[3,2-g]chromen-7-one is O=c1cc(C(F)(F)F)c2cc3ccoc3cc2o1.
What is the InChIKey of 5-(trifluoromethyl)furo[3,2-g]chromen-7-one?
The InChIKey is OVGQNUOYCUHROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3O3/c13-12(14,15)8-4-11(16)18-10-5-9-6(1-2-17-9)3-7(8)10/h1-5H.
What are the key properties of 5-(trifluoromethyl)furo[3,2-g]chromen-7-one?
5-(trifluoromethyl)furo[3,2-g]chromen-7-one has a molecular weight of 254.16 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 25169057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).