2-methyl-3-(trifluoromethyl)chromen-4-one

C11H7F3O2 — CID 175746490

IUPAC2-methyl-3-(trifluoromethyl)chromen-4-one
SMILESCc1oc2ccccc2c(=O)c1C(F)(F)F
InChIInChI=1S/C11H7F3O2/c1-6-9(11(12,13)14)10(15)7-4-2-3-5-8(7)16-6/h2-5H,1H3
InChIKeyOTMGSHVOTCBEST-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.12
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)chromen-4-one

2-methyl-3-(trifluoromethyl)chromen-4-one (PubChem CID 175746490) has the molecular formula C11H7F3O2 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)chromen-4-one
PubChem CID175746490
Molecular FormulaC11H7F3O2
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name2-methyl-3-(trifluoromethyl)chromen-4-one
SMILESCc1oc2ccccc2c(=O)c1C(F)(F)F
InChIInChI=1S/C11H7F3O2/c1-6-9(11(12,13)14)10(15)7-4-2-3-5-8(7)16-6/h2-5H,1H3
InChIKeyOTMGSHVOTCBEST-UHFFFAOYSA-N
XLogP3.12
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)chromen-4-one?
The IUPAC name of 2-methyl-3-(trifluoromethyl)chromen-4-one (CID 175746490) is 2-methyl-3-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)chromen-4-one is Cc1oc2ccccc2c(=O)c1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)chromen-4-one?
The InChIKey is OTMGSHVOTCBEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O2/c1-6-9(11(12,13)14)10(15)7-4-2-3-5-8(7)16-6/h2-5H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)chromen-4-one?
2-methyl-3-(trifluoromethyl)chromen-4-one has a molecular weight of 228.17 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 175746490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).