3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine

C9H16F3NO — CID 153420388

IUPAC3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine
SMILESCC(C)(C)OC1CN(CC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(2,3)14-7-4-13(5-7)6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyRJFOXMSFQNKYAB-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine

3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine (PubChem CID 153420388) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine
PubChem CID153420388
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine
SMILESCC(C)(C)OC1CN(CC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(2,3)14-7-4-13(5-7)6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyRJFOXMSFQNKYAB-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
2,2,2-trifluoro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 90140970
3-(Difluoromethoxy)-1-methylazetidine
CID 117744070
3-(1,1-Difluoroethoxy)-1-propan-2-ylazetidine
CID 122532893
1-Methyl-3-(trifluoromethoxy)azetidine
CID 122534000
1-(2-Ethoxyethyl)-3-(fluoromethyl)azetidine
CID 123621807
3-(Fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 123717229
1-[1-(1-Tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine
CID 126547341
2,2,2-trifluoro-N-(2-methoxyethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 129145347
3,3-Difluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262376
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine (CID 153420388) is 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine is CC(C)(C)OC1CN(CC(F)(F)F)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine?
The InChIKey is RJFOXMSFQNKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2,3)14-7-4-13(5-7)6-9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine?
3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine is sourced from PubChem (CID 153420388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).