2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine

C9H7F4NO — CID 154023673

IUPAC2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine
SMILES[2H]C1([2H])NC([2H])([2H])C1Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H7F4NO/c10-5-1-6(11)8(13)9(7(5)12)15-4-2-14-3-4/h1,4,14H,2-3H2/i2D2,3D2
InChIKeyUGLPJXJCBSHGRH-RRVWJQJTSA-N
MW225.18 g/mol
LogP1.59
Rot. Bonds2

About 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine

2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine (PubChem CID 154023673) has the molecular formula C9H7F4NO and a molecular weight of 225.18 g/mol. Its IUPAC name is 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine.

Molecular Properties

Compound Name2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine
PubChem CID154023673
Molecular FormulaC9H7F4NO
Molecular Weight225.18 g/mol
Exact Mass225.07
IUPAC Name2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine
SMILES[2H]C1([2H])NC([2H])([2H])C1Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H7F4NO/c10-5-1-6(11)8(13)9(7(5)12)15-4-2-14-3-4/h1,4,14H,2-3H2/i2D2,3D2
InChIKeyUGLPJXJCBSHGRH-RRVWJQJTSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4-tetradeuterio-3-(2,3,5-trifluorophenoxy)azetidine
CID 154023691
3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride
CID 134524404
3-(2,3,5-trifluorophenoxy)azetidine
CID 134521245
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049
(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine
CID 66246609
2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol
CID 103290555
3-(2,3-difluoro-6-nitrophenoxy)azetidine
CID 63105342
3-deuterio-3-(4-deuterio-2,3,6-trifluorophenoxy)azetidine
CID 154023685
1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 21363751
4-(3,5-difluoro-4-methoxyphenoxy)piperidine;hydrochloride
CID 86704242
silyl-(2,3,5,6-tetrafluorophenoxy)silane
CID 173127343

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine?
The IUPAC name of 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine (CID 154023673) is 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine.
What is the SMILES notation for 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine?
The canonical SMILES for 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine is [2H]C1([2H])NC([2H])([2H])C1Oc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine?
The InChIKey is UGLPJXJCBSHGRH-RRVWJQJTSA-N. The full InChI is InChI=1S/C9H7F4NO/c10-5-1-6(11)8(13)9(7(5)12)15-4-2-14-3-4/h1,4,14H,2-3H2/i2D2,3D2.
What are the key properties of 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine?
2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine has a molecular weight of 225.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetradeuterio-3-(2,3,5,6-tetrafluorophenoxy)azetidine is sourced from PubChem (CID 154023673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).