3,3-difluoro-2H-chromen-4-one

C9H6F2O2 — CID 156711266

IUPAC3,3-difluoro-2H-chromen-4-one
SMILESO=C1c2ccccc2OCC1(F)F
InChIInChI=1S/C9H6F2O2/c10-9(11)5-13-7-4-2-1-3-6(7)8(9)12/h1-4H,5H2
InChIKeyOBFJWZPFCPOODU-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.90
Rot. Bonds

About 3,3-difluoro-2H-chromen-4-one

3,3-difluoro-2H-chromen-4-one (PubChem CID 156711266) has the molecular formula C9H6F2O2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 3,3-difluoro-2H-chromen-4-one.

Molecular Properties

Compound Name3,3-difluoro-2H-chromen-4-one
PubChem CID156711266
Molecular FormulaC9H6F2O2
Molecular Weight184.14 g/mol
Exact Mass184.03
IUPAC Name3,3-difluoro-2H-chromen-4-one
SMILESO=C1c2ccccc2OCC1(F)F
InChIInChI=1S/C9H6F2O2/c10-9(11)5-13-7-4-2-1-3-6(7)8(9)12/h1-4H,5H2
InChIKeyOBFJWZPFCPOODU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-sulfanyl-2H-chromen-4-one
CID 174301602
3-(iodomethyl)-3-methyl-2H-chromen-4-one
CID 10590440
2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
CID 1478538
(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 7084615
(1'S,3R)-4-oxospiro[2H-chromene-3,2'-cyclopropane]-1'-carbonitrile
CID 1478547
(1'R,3S)-4-oxospiro[2H-chromene-3,2'-cyclopropane]-1'-carbonitrile
CID 1478544
2,2-bis(trifluoromethyl)-1-benzofuran-3-one
CID 13384251
(3R,3'S)-3'-ethylspiro[2H-chromene-3,2'-aziridine]-4-one
CID 10987336
spiro[2H-chromene-3,2'-3H-1,3,4-thiadiazole]-4-one
CID 168654955
1-benzofuran-3-one;ethane
CID 90876800
(3R)-3-bromo-3-[(R)-bromo-(4-methylphenyl)methyl]-2H-chromen-4-one
CID 7037372
2-[3-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
CID 1486156

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2H-chromen-4-one?
The IUPAC name of 3,3-difluoro-2H-chromen-4-one (CID 156711266) is 3,3-difluoro-2H-chromen-4-one.
What is the SMILES notation for 3,3-difluoro-2H-chromen-4-one?
The canonical SMILES for 3,3-difluoro-2H-chromen-4-one is O=C1c2ccccc2OCC1(F)F.
What is the InChIKey of 3,3-difluoro-2H-chromen-4-one?
The InChIKey is OBFJWZPFCPOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O2/c10-9(11)5-13-7-4-2-1-3-6(7)8(9)12/h1-4H,5H2.
What are the key properties of 3,3-difluoro-2H-chromen-4-one?
3,3-difluoro-2H-chromen-4-one has a molecular weight of 184.14 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2H-chromen-4-one is sourced from PubChem (CID 156711266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).