6,8-difluoro-3,4-dihydrochromen-2-one

C9H6F2O2 — CID 83397289

IUPAC6,8-difluoro-3,4-dihydrochromen-2-one
SMILESO=C1CCc2cc(F)cc(F)c2O1
InChIInChI=1S/C9H6F2O2/c10-6-3-5-1-2-8(12)13-9(5)7(11)4-6/h3-4H,1-2H2
InChIKeyDVXMOQDYUZIDNH-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.82
Rot. Bonds

About 6,8-difluoro-3,4-dihydrochromen-2-one

6,8-difluoro-3,4-dihydrochromen-2-one (PubChem CID 83397289) has the molecular formula C9H6F2O2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 6,8-difluoro-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6,8-difluoro-3,4-dihydrochromen-2-one
PubChem CID83397289
Molecular FormulaC9H6F2O2
Molecular Weight184.14 g/mol
Exact Mass184.03
IUPAC Name6,8-difluoro-3,4-dihydrochromen-2-one
SMILESO=C1CCc2cc(F)cc(F)c2O1
InChIInChI=1S/C9H6F2O2/c10-6-3-5-1-2-8(12)13-9(5)7(11)4-6/h3-4H,1-2H2
InChIKeyDVXMOQDYUZIDNH-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3,4-dihydrochromen-2-one?
The IUPAC name of 6,8-difluoro-3,4-dihydrochromen-2-one (CID 83397289) is 6,8-difluoro-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6,8-difluoro-3,4-dihydrochromen-2-one?
The canonical SMILES for 6,8-difluoro-3,4-dihydrochromen-2-one is O=C1CCc2cc(F)cc(F)c2O1.
What is the InChIKey of 6,8-difluoro-3,4-dihydrochromen-2-one?
The InChIKey is DVXMOQDYUZIDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O2/c10-6-3-5-1-2-8(12)13-9(5)7(11)4-6/h3-4H,1-2H2.
What are the key properties of 6,8-difluoro-3,4-dihydrochromen-2-one?
6,8-difluoro-3,4-dihydrochromen-2-one has a molecular weight of 184.14 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,4-dihydrochromen-2-one is sourced from PubChem (CID 83397289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).