7-hydroxy-4-(trifluoromethyl)chromen-2-one

C10H5F3O3 — CID 5375667

IUPAC7-hydroxy-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(O)cc2o1
InChIInChI=1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H
InChIKeyCCKWMCUOHJAVOL-UHFFFAOYSA-N
MW230.14 g/mol
LogP2.52
Rot. Bonds

About 7-hydroxy-4-(trifluoromethyl)chromen-2-one

7-hydroxy-4-(trifluoromethyl)chromen-2-one (PubChem CID 5375667) has the molecular formula C10H5F3O3 and a molecular weight of 230.14 g/mol. Its IUPAC name is 7-hydroxy-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(trifluoromethyl)chromen-2-one
PubChem CID5375667
Molecular FormulaC10H5F3O3
Molecular Weight230.14 g/mol
Exact Mass230.02
IUPAC Name7-hydroxy-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(O)cc2o1
InChIInChI=1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H
InChIKeyCCKWMCUOHJAVOL-UHFFFAOYSA-N
XLogP2.52
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
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 7-hydroxy-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-hydroxy-4-(trifluoromethyl)chromen-2-one (CID 5375667) is 7-hydroxy-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4-(trifluoromethyl)chromen-2-one is O=c1cc(C(F)(F)F)c2ccc(O)cc2o1.
What is the InChIKey of 7-hydroxy-4-(trifluoromethyl)chromen-2-one?
The InChIKey is CCKWMCUOHJAVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H.
What are the key properties of 7-hydroxy-4-(trifluoromethyl)chromen-2-one?
7-hydroxy-4-(trifluoromethyl)chromen-2-one has a molecular weight of 230.14 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 5375667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).