1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone

C11H11F2NO — CID 105411995

IUPAC1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)C1CNC1
InChIInChI=1S/C11H11F2NO/c12-9-1-7(2-10(13)4-9)3-11(15)8-5-14-6-8/h1-2,4,8,14H,3,5-6H2
InChIKeyGMRCKJQGELNDSN-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.30
Rot. Bonds3

About 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone

1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 105411995) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone
PubChem CID105411995
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)C1CNC1
InChIInChI=1S/C11H11F2NO/c12-9-1-7(2-10(13)4-9)3-11(15)8-5-14-6-8/h1-2,4,8,14H,3,5-6H2
InChIKeyGMRCKJQGELNDSN-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
CID 105411850
1-(3,3-difluorocyclopentyl)-2-(3,5-difluorophenyl)ethanone
CID 114215622
2-(3,5-difluorophenyl)-1-(thian-2-yl)ethanone
CID 105405431
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
1-(azetidin-3-yl)-2-(3-bromo-4-methylphenyl)ethanone
CID 130698613
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572487
1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone
CID 116583679
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone (CID 105411995) is 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone is O=C(Cc1cc(F)cc(F)c1)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is GMRCKJQGELNDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-9-1-7(2-10(13)4-9)3-11(15)8-5-14-6-8/h1-2,4,8,14H,3,5-6H2.
What are the key properties of 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone?
1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone has a molecular weight of 211.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105411995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).