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

C11H7F3O3 — CID 134855912

IUPAC5-methoxy-2-(trifluoromethyl)chromen-4-one
SMILESCOc1cccc2oc(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C11H7F3O3/c1-16-7-3-2-4-8-10(7)6(15)5-9(17-8)11(12,13)14/h2-5H,1H3
InChIKeyMHHPPHRMIWQSDP-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.82
Rot. Bonds1

About 5-methoxy-2-(trifluoromethyl)chromen-4-one

5-methoxy-2-(trifluoromethyl)chromen-4-one (PubChem CID 134855912) has the molecular formula C11H7F3O3 and a molecular weight of 244.17 g/mol. Its IUPAC name is 5-methoxy-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name5-methoxy-2-(trifluoromethyl)chromen-4-one
PubChem CID134855912
Molecular FormulaC11H7F3O3
Molecular Weight244.17 g/mol
Exact Mass244.03
IUPAC Name5-methoxy-2-(trifluoromethyl)chromen-4-one
SMILESCOc1cccc2oc(C(F)(F)F)cc(=O)c12
InChIInChI=1S/C11H7F3O3/c1-16-7-3-2-4-8-10(7)6(15)5-9(17-8)11(12,13)14/h2-5H,1H3
InChIKeyMHHPPHRMIWQSDP-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

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Related Compounds

2-amino-5-methoxychromen-4-one
CID 134860119
6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one
CID 134989458
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
CID 10041721
5-methoxy-4-methylchromen-2-one
CID 11286956
5-acetyl-6-methyl-2-(trifluoromethyl)chromen-4-one
CID 161272821
3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one
CID 134855870
2-(3-amino-4-methylphenyl)-5-methoxychromen-4-one
CID 71421837
5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 142743418
3,4,5-trimethoxychromen-2-one
CID 19930053
6,8-dimethoxy-2-(trifluoromethyl)chromen-4-one
CID 134828241
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl] acetate
CID 71413141

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 5-methoxy-2-(trifluoromethyl)chromen-4-one (CID 134855912) is 5-methoxy-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 5-methoxy-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 5-methoxy-2-(trifluoromethyl)chromen-4-one is COc1cccc2oc(C(F)(F)F)cc(=O)c12.
What is the InChIKey of 5-methoxy-2-(trifluoromethyl)chromen-4-one?
The InChIKey is MHHPPHRMIWQSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O3/c1-16-7-3-2-4-8-10(7)6(15)5-9(17-8)11(12,13)14/h2-5H,1H3.
What are the key properties of 5-methoxy-2-(trifluoromethyl)chromen-4-one?
5-methoxy-2-(trifluoromethyl)chromen-4-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 5-methoxy-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 134855912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).