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

C12H13F2NO2 — CID 55130596

IUPAC1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)C1)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO2/c13-9-2-1-3-10(14)12(9)11(17)7-15-5-4-8(16)6-15/h1-3,8,16H,4-7H2
InChIKeyKDODMZZTLRAIHU-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.21
Rot. Bonds3

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

1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 55130596) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID55130596
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)C1)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO2/c13-9-2-1-3-10(14)12(9)11(17)7-15-5-4-8(16)6-15/h1-3,8,16H,4-7H2
InChIKeyKDODMZZTLRAIHU-UHFFFAOYSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587713
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62941183
1-(2,6-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 55153158
1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025506
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71649464
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 62941898
1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 129368588
1-(2,4-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943194
1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
CID 81475274

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (CID 55130596) is 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is O=C(CN1CCC(O)C1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is KDODMZZTLRAIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-2-1-3-10(14)12(9)11(17)7-15-5-4-8(16)6-15/h1-3,8,16H,4-7H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 241.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 55130596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).