7,7-difluoro-3,6-dihydro-2H-chromen-4-one

C9H8F2O2 — CID 161417050

IUPAC7,7-difluoro-3,6-dihydro-2H-chromen-4-one
SMILESO=C1CCOC2=CC(F)(F)CC=C12
InChIInChI=1S/C9H8F2O2/c10-9(11)3-1-6-7(12)2-4-13-8(6)5-9/h1,5H,2-4H2
InChIKeyVWFISQWMIDMIPV-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.83
Rot. Bonds

About 7,7-difluoro-3,6-dihydro-2H-chromen-4-one

7,7-difluoro-3,6-dihydro-2H-chromen-4-one (PubChem CID 161417050) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 7,7-difluoro-3,6-dihydro-2H-chromen-4-one.

Molecular Properties

Compound Name7,7-difluoro-3,6-dihydro-2H-chromen-4-one
PubChem CID161417050
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name7,7-difluoro-3,6-dihydro-2H-chromen-4-one
SMILESO=C1CCOC2=CC(F)(F)CC=C12
InChIInChI=1S/C9H8F2O2/c10-9(11)3-1-6-7(12)2-4-13-8(6)5-9/h1,5H,2-4H2
InChIKeyVWFISQWMIDMIPV-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-difluoro-3,6-dihydro-2H-chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,3E)-6-(difluoromethyl)-2,3-di(ethylidene)oxan-4-one
CID 89609698
1-[(5Z,6E)-5,6-di(ethylidene)-2-(trifluoromethyl)-2H-pyran-3-yl]propan-1-one
CID 126497400
(2Z,3Z)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxan-4-one
CID 134289756
2-(Trifluoromethyl)-2,3,4,7-tetrahydrochromen-6-one
CID 141194497
3,6,7-trimethyl-1H-isochromene-5,8-dione
CID 134867323
[1]benzopyran-7(8H)-one
CID 21416084
2H-pyran-3-yl(2H-pyran-5-yl)methanone
CID 67720895
2,3,4,7-Tetrahydrochromen-6-one
CID 140967326
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylideneoxan-4-one
CID 143137831
(3E)-2-methylidene-3-prop-2-enylideneoxan-4-one
CID 143804503
2,3,6,7-Tetrahydrochromen-4-one
CID 145146689
2,3-Dihydrocyclohepta[b]pyran-4-one
CID 145264144

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3,6-dihydro-2H-chromen-4-one?
The IUPAC name of 7,7-difluoro-3,6-dihydro-2H-chromen-4-one (CID 161417050) is 7,7-difluoro-3,6-dihydro-2H-chromen-4-one.
What is the SMILES notation for 7,7-difluoro-3,6-dihydro-2H-chromen-4-one?
The canonical SMILES for 7,7-difluoro-3,6-dihydro-2H-chromen-4-one is O=C1CCOC2=CC(F)(F)CC=C12.
What is the InChIKey of 7,7-difluoro-3,6-dihydro-2H-chromen-4-one?
The InChIKey is VWFISQWMIDMIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c10-9(11)3-1-6-7(12)2-4-13-8(6)5-9/h1,5H,2-4H2.
What are the key properties of 7,7-difluoro-3,6-dihydro-2H-chromen-4-one?
7,7-difluoro-3,6-dihydro-2H-chromen-4-one has a molecular weight of 186.16 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-3,6-dihydro-2H-chromen-4-one is sourced from PubChem (CID 161417050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).