2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde

C11H11F2NO2 — CID 155475564

IUPAC2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde
SMILESCN1CC(Oc2cc(F)c(C=O)c(F)c2)C1
InChIInChI=1S/C11H11F2NO2/c1-14-4-8(5-14)16-7-2-10(12)9(6-15)11(13)3-7/h2-3,6,8H,4-5H2,1H3
InChIKeyPGCHETHDSATSCZ-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.47
Rot. Bonds3

About 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde

2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde (PubChem CID 155475564) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde
PubChem CID155475564
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde
SMILESCN1CC(Oc2cc(F)c(C=O)c(F)c2)C1
InChIInChI=1S/C11H11F2NO2/c1-14-4-8(5-14)16-7-2-10(12)9(6-15)11(13)3-7/h2-3,6,8H,4-5H2,1H3
InChIKeyPGCHETHDSATSCZ-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
3-(3,4,5-trifluorophenoxy)azetidine-1-carboxylic acid
CID 134521557
3-[4-(1-methylazetidin-3-yl)oxyphenyl]butanal
CID 117338485
3-(4-bromophenoxy)-1-methylazetidine
CID 84703186
4-cyclopropyl-2,6-difluorobenzaldehyde
CID 163302596
(3,5-difluoro-4-formylphenyl) trifluoromethanesulfonate
CID 122583120
3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde
CID 121283986
2-fluoro-4-(1-methylpiperidin-3-yl)oxyaniline
CID 89223990
2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde
CID 135290673
3-(3,5-difluorophenoxy)-1-ethylazetidine
CID 134521250
4-ethyl-2,6-difluorobenzaldehyde
CID 88881021
4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
CID 90260319

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde?
The IUPAC name of 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde (CID 155475564) is 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde?
The canonical SMILES for 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde is CN1CC(Oc2cc(F)c(C=O)c(F)c2)C1.
What is the InChIKey of 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde?
The InChIKey is PGCHETHDSATSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-14-4-8(5-14)16-7-2-10(12)9(6-15)11(13)3-7/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde?
2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde has a molecular weight of 227.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(1-methylazetidin-3-yl)oxybenzaldehyde is sourced from PubChem (CID 155475564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).