1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone

C11H10F2O2 — CID 155687037

IUPAC1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone
SMILESCC(=O)c1cccc2c1COCC2(F)F
InChIInChI=1S/C11H10F2O2/c1-7(14)8-3-2-4-10-9(8)5-15-6-11(10,12)13/h2-4H,5-6H2,1H3
InChIKeyLUUUJOBRPJUHIU-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.51
Rot. Bonds1

About 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone

1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone (PubChem CID 155687037) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone
PubChem CID155687037
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone
SMILESCC(=O)c1cccc2c1COCC2(F)F
InChIInChI=1S/C11H10F2O2/c1-7(14)8-3-2-4-10-9(8)5-15-6-11(10,12)13/h2-4H,5-6H2,1H3
InChIKeyLUUUJOBRPJUHIU-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,2-difluorocyclopropyl)phenyl]ethanone
CID 115020521
1-(2-sulfanylidene-4H-1,3-benzodioxin-5-yl)ethanone
CID 84780163
2-acetyl-3-[4-(2-acetyl-3-carboxyphenyl)oxolan-3-yl]benzoic acid
CID 175929562
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-spiro[1,3-dihydroindene-2,1'-cyclopentane]-4-ylethanone
CID 144506511
2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid
CID 71325821
1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone
CID 105475556
1-[(3R,5'S)-5'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,2'-oxolane]-5-yl]ethanone
CID 142437647
1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-4-yl]ethanone
CID 115106162
1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
CID 115038480
1-(6-acetyl-10H-phenoxazin-4-yl)ethanone
CID 21276359
8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one
CID 57475445

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone?
The IUPAC name of 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone (CID 155687037) is 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone?
The canonical SMILES for 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone is CC(=O)c1cccc2c1COCC2(F)F.
What is the InChIKey of 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone?
The InChIKey is LUUUJOBRPJUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-7(14)8-3-2-4-10-9(8)5-15-6-11(10,12)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone?
1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone has a molecular weight of 212.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-1,3-dihydroisochromen-8-yl)ethanone is sourced from PubChem (CID 155687037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).