(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone

C11H11F2NO — CID 131003049

IUPAC(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone
SMILESCC1(C(=O)c2cc(F)ccc2F)CNC1
InChIInChI=1S/C11H11F2NO/c1-11(5-14-6-11)10(15)8-4-7(12)2-3-9(8)13/h2-4,14H,5-6H2,1H3
InChIKeyJFXLNTOKDYBUOV-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.76
Rot. Bonds2

About (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone

(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone (PubChem CID 131003049) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone
PubChem CID131003049
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone
SMILESCC1(C(=O)c2cc(F)ccc2F)CNC1
InChIInChI=1S/C11H11F2NO/c1-11(5-14-6-11)10(15)8-4-7(12)2-3-9(8)13/h2-4,14H,5-6H2,1H3
InChIKeyJFXLNTOKDYBUOV-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride
CID 162509745
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
CID 114284487
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
(2,5-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79058928
(2,5-difluorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921363
(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone
CID 130987576
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275242
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione
CID 82119806
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone (CID 131003049) is (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone is CC1(C(=O)c2cc(F)ccc2F)CNC1.
What is the InChIKey of (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone?
The InChIKey is JFXLNTOKDYBUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-11(5-14-6-11)10(15)8-4-7(12)2-3-9(8)13/h2-4,14H,5-6H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone?
(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone has a molecular weight of 211.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone is sourced from PubChem (CID 131003049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).