2-(difluoromethyl)benzo[h]chromen-4-one

C14H8F2O2 — CID 2849147

IUPAC2-(difluoromethyl)benzo[h]chromen-4-one
SMILESO=c1cc(C(F)F)oc2c1ccc1ccccc12
InChIInChI=1S/C14H8F2O2/c15-14(16)12-7-11(17)10-6-5-8-3-1-2-4-9(8)13(10)18-12/h1-7,14H
InChIKeyKNUJYYIPVGGTID-UHFFFAOYSA-N
MW246.21 g/mol
LogP3.88
Rot. Bonds1

About 2-(difluoromethyl)benzo[h]chromen-4-one

2-(difluoromethyl)benzo[h]chromen-4-one (PubChem CID 2849147) has the molecular formula C14H8F2O2 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-(difluoromethyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)benzo[h]chromen-4-one
PubChem CID2849147
Molecular FormulaC14H8F2O2
Molecular Weight246.21 g/mol
Exact Mass246.05
IUPAC Name2-(difluoromethyl)benzo[h]chromen-4-one
SMILESO=c1cc(C(F)F)oc2c1ccc1ccccc12
InChIInChI=1S/C14H8F2O2/c15-14(16)12-7-11(17)10-6-5-8-3-1-2-4-9(8)13(10)18-12/h1-7,14H
InChIKeyKNUJYYIPVGGTID-UHFFFAOYSA-N
XLogP3.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(difluoromethyl)benzo[h]chromen-4-one (CID 2849147) is 2-(difluoromethyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(difluoromethyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(difluoromethyl)benzo[h]chromen-4-one is O=c1cc(C(F)F)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(difluoromethyl)benzo[h]chromen-4-one?
The InChIKey is KNUJYYIPVGGTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2O2/c15-14(16)12-7-11(17)10-6-5-8-3-1-2-4-9(8)13(10)18-12/h1-7,14H.
What are the key properties of 2-(difluoromethyl)benzo[h]chromen-4-one?
2-(difluoromethyl)benzo[h]chromen-4-one has a molecular weight of 246.21 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)benzo[h]chromen-4-one is sourced from PubChem (CID 2849147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).