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

C11H7F3O3 — CID 688586

IUPAC7-methoxy-4-(trifluoromethyl)chromen-2-one
SMILESCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3
InChIKeyHAZHUELNIGDYQH-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.82
Rot. Bonds1

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

7-methoxy-4-(trifluoromethyl)chromen-2-one (PubChem CID 688586) has the molecular formula C11H7F3O3 and a molecular weight of 244.17 g/mol. Its IUPAC name is 7-methoxy-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-(trifluoromethyl)chromen-2-one
PubChem CID688586
Molecular FormulaC11H7F3O3
Molecular Weight244.17 g/mol
Exact Mass244.03
IUPAC Name7-methoxy-4-(trifluoromethyl)chromen-2-one
SMILESCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3
InChIKeyHAZHUELNIGDYQH-UHFFFAOYSA-N
XLogP2.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405385
(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide
CID 2492080
7-(trichloromethyl)-4-(trifluoromethyl)chromen-2-one
CID 90255871
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-propan-2-ylacetamide
CID 29405533
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
[2-oxo-4-(trifluoromethyl)chromen-7-yl] (3S)-hexane-3-sulfonate
CID 100674586
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
CID 73437941
7-(1H-pyrrol-3-ylmethoxy)-4-(trifluoromethyl)chromen-2-one
CID 155663382
[2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-fluorobenzoate
CID 7750810
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 55321270

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-methoxy-4-(trifluoromethyl)chromen-2-one (CID 688586) is 7-methoxy-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-methoxy-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-methoxy-4-(trifluoromethyl)chromen-2-one is COc1ccc2c(C(F)(F)F)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-(trifluoromethyl)chromen-2-one?
The InChIKey is HAZHUELNIGDYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3.
What are the key properties of 7-methoxy-4-(trifluoromethyl)chromen-2-one?
7-methoxy-4-(trifluoromethyl)chromen-2-one has a molecular weight of 244.17 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 688586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).