3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine

C9H8F3NO — CID 154023685

IUPAC3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine
SMILES[2H]c1cc(F)c(OC2([2H])CNC2)c(F)c1F
InChIInChI=1S/C9H8F3NO/c10-6-1-2-7(11)9(8(6)12)14-5-3-13-4-5/h1-2,5,13H,3-4H2/i1D,5D
InChIKeyGCRKFHHSKNMMCG-WQPYEJCJSA-N
MW205.18 g/mol
LogP1.45
Rot. Bonds2

About 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine

3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine (PubChem CID 154023685) has the molecular formula C9H8F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine.

Molecular Properties

Compound Name3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine
PubChem CID154023685
Molecular FormulaC9H8F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine
SMILES[2H]c1cc(F)c(OC2([2H])CNC2)c(F)c1F
InChIInChI=1S/C9H8F3NO/c10-6-1-2-7(11)9(8(6)12)14-5-3-13-4-5/h1-2,5,13H,3-4H2/i1D,5D
InChIKeyGCRKFHHSKNMMCG-WQPYEJCJSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-deuterio-3-(2,4-dideuterio-3,5,6-trifluorophenoxy)azetidine
CID 154023698
3-(2,3-difluoro-6-nitrophenoxy)azetidine
CID 63105342
azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone
CID 106944077
2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine
CID 154023673
(4-methylpyrrolidin-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 116572633
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
3-(2,3,6-trifluorophenoxy)azetidine-1-carboxylic acid
CID 134521650
3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride
CID 134524404
(3S,4S)-4-(2,3,4,5,6-pentafluorophenoxy)pyrrolidin-3-ol
CID 114203459
3-[(3,4-difluorophenyl)sulfanylmethyl]azetidine
CID 130531002
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine?
The IUPAC name of 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine (CID 154023685) is 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine.
What is the SMILES notation for 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine?
The canonical SMILES for 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine is [2H]c1cc(F)c(OC2([2H])CNC2)c(F)c1F.
What is the InChIKey of 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine?
The InChIKey is GCRKFHHSKNMMCG-WQPYEJCJSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-6-1-2-7(11)9(8(6)12)14-5-3-13-4-5/h1-2,5,13H,3-4H2/i1D,5D.
What are the key properties of 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine?
3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine has a molecular weight of 205.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine is sourced from PubChem (CID 154023685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).