1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone

C11H10F2O3 — CID 66570616

IUPAC1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESO=C(CC1OCCO1)c1c(F)cccc1F
InChIInChI=1S/C11H10F2O3/c12-7-2-1-3-8(13)11(7)9(14)6-10-15-4-5-16-10/h1-3,10H,4-6H2
InChIKeyCOJVVNASIDEXJG-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.91
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone

1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone (PubChem CID 66570616) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
PubChem CID66570616
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESO=C(CC1OCCO1)c1c(F)cccc1F
InChIInChI=1S/C11H10F2O3/c12-7-2-1-3-8(13)11(7)9(14)6-10-15-4-5-16-10/h1-3,10H,4-6H2
InChIKeyCOJVVNASIDEXJG-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 106944374
2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 103543680
1-(2,6-difluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752436
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
(2,6-difluorophenyl)-(oxolan-2-yl)methanone
CID 65331301
2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone
CID 64640573
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
CID 60884745
(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 103543669
1-(2,6-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 55153158

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone (CID 66570616) is 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone is O=C(CC1OCCO1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The InChIKey is COJVVNASIDEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-7-2-1-3-8(13)11(7)9(14)6-10-15-4-5-16-10/h1-3,10H,4-6H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone?
1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone has a molecular weight of 228.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone is sourced from PubChem (CID 66570616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).