2-(difluoromethyl)chromen-4-one

C10H6F2O2 — CID 715696

IUPAC2-(difluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)F)oc2ccccc12
InChIInChI=1S/C10H6F2O2/c11-10(12)9-5-7(13)6-3-1-2-4-8(6)14-9/h1-5,10H
InChIKeyGKIYUOSVTAOJHU-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.73
Rot. Bonds1

About 2-(difluoromethyl)chromen-4-one

2-(difluoromethyl)chromen-4-one (PubChem CID 715696) has the molecular formula C10H6F2O2 and a molecular weight of 196.15 g/mol. Its IUPAC name is 2-(difluoromethyl)chromen-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)chromen-4-one
PubChem CID715696
Molecular FormulaC10H6F2O2
Molecular Weight196.15 g/mol
Exact Mass196.03
IUPAC Name2-(difluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)F)oc2ccccc12
InChIInChI=1S/C10H6F2O2/c11-10(12)9-5-7(13)6-3-1-2-4-8(6)14-9/h1-5,10H
InChIKeyGKIYUOSVTAOJHU-UHFFFAOYSA-N
XLogP2.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)chromen-4-one?
The IUPAC name of 2-(difluoromethyl)chromen-4-one (CID 715696) is 2-(difluoromethyl)chromen-4-one.
What is the SMILES notation for 2-(difluoromethyl)chromen-4-one?
The canonical SMILES for 2-(difluoromethyl)chromen-4-one is O=c1cc(C(F)F)oc2ccccc12.
What is the InChIKey of 2-(difluoromethyl)chromen-4-one?
The InChIKey is GKIYUOSVTAOJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O2/c11-10(12)9-5-7(13)6-3-1-2-4-8(6)14-9/h1-5,10H.
What are the key properties of 2-(difluoromethyl)chromen-4-one?
2-(difluoromethyl)chromen-4-one has a molecular weight of 196.15 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)chromen-4-one is sourced from PubChem (CID 715696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).