2-(difluoromethyl)-7-methylchromen-4-one

C11H8F2O2 — CID 691249

IUPAC2-(difluoromethyl)-7-methylchromen-4-one
SMILESCc1ccc2c(=O)cc(C(F)F)oc2c1
InChIInChI=1S/C11H8F2O2/c1-6-2-3-7-8(14)5-10(11(12)13)15-9(7)4-6/h2-5,11H,1H3
InChIKeyBFNGPUUFAPPMKG-UHFFFAOYSA-N
MW210.18 g/mol
LogP3.04
Rot. Bonds1

About 2-(difluoromethyl)-7-methylchromen-4-one

2-(difluoromethyl)-7-methylchromen-4-one (PubChem CID 691249) has the molecular formula C11H8F2O2 and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-methylchromen-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-7-methylchromen-4-one
PubChem CID691249
Molecular FormulaC11H8F2O2
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name2-(difluoromethyl)-7-methylchromen-4-one
SMILESCc1ccc2c(=O)cc(C(F)F)oc2c1
InChIInChI=1S/C11H8F2O2/c1-6-2-3-7-8(14)5-10(11(12)13)15-9(7)4-6/h2-5,11H,1H3
InChIKeyBFNGPUUFAPPMKG-UHFFFAOYSA-N
XLogP3.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-methylchromen-4-one?
The IUPAC name of 2-(difluoromethyl)-7-methylchromen-4-one (CID 691249) is 2-(difluoromethyl)-7-methylchromen-4-one.
What is the SMILES notation for 2-(difluoromethyl)-7-methylchromen-4-one?
The canonical SMILES for 2-(difluoromethyl)-7-methylchromen-4-one is Cc1ccc2c(=O)cc(C(F)F)oc2c1.
What is the InChIKey of 2-(difluoromethyl)-7-methylchromen-4-one?
The InChIKey is BFNGPUUFAPPMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O2/c1-6-2-3-7-8(14)5-10(11(12)13)15-9(7)4-6/h2-5,11H,1H3.
What are the key properties of 2-(difluoromethyl)-7-methylchromen-4-one?
2-(difluoromethyl)-7-methylchromen-4-one has a molecular weight of 210.18 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-methylchromen-4-one is sourced from PubChem (CID 691249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).