1-ethyl-3-(trifluoromethoxy)azetidine

C6H10F3NO — CID 137409379

IUPAC1-ethyl-3-(trifluoromethoxy)azetidine
SMILESCCN1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c1-2-10-3-5(4-10)11-6(7,8)9/h5H,2-4H2,1H3
InChIKeyDFBFOMVMSWIZOW-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.23
Rot. Bonds2

About 1-ethyl-3-(trifluoromethoxy)azetidine

1-ethyl-3-(trifluoromethoxy)azetidine (PubChem CID 137409379) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethoxy)azetidine.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethoxy)azetidine
PubChem CID137409379
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1-ethyl-3-(trifluoromethoxy)azetidine
SMILESCCN1CC(OC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c1-2-10-3-5(4-10)11-6(7,8)9/h5H,2-4H2,1H3
InChIKeyDFBFOMVMSWIZOW-UHFFFAOYSA-N
XLogP1.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Difluoroethyl)azetidin-3-ol
CID 63282692
2-[3-(Difluoromethoxy)azetidin-1-yl]ethan-1-ol
CID 131227819
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
(2R)-3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine
CID 59504972
1-(2,2,2-Trifluoroethyl)azetidin-3-ol
CID 63282292
1-(3,3,3-Trifluoropropyl)azetidin-3-ol
CID 64568003
(2R)-3-(azetidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 66649641
3-(Azetidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 66649642
3,3,3-trifluoro-2-methoxy-N,N-dimethylpropan-1-amine
CID 72309521
3-(Difluoromethoxy)-1-methylazetidine
CID 117744070
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
3-(1,1-Difluoroethoxy)-1-propan-2-ylazetidine
CID 122532893

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethoxy)azetidine?
The IUPAC name of 1-ethyl-3-(trifluoromethoxy)azetidine (CID 137409379) is 1-ethyl-3-(trifluoromethoxy)azetidine.
What is the SMILES notation for 1-ethyl-3-(trifluoromethoxy)azetidine?
The canonical SMILES for 1-ethyl-3-(trifluoromethoxy)azetidine is CCN1CC(OC(F)(F)F)C1.
What is the InChIKey of 1-ethyl-3-(trifluoromethoxy)azetidine?
The InChIKey is DFBFOMVMSWIZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-2-10-3-5(4-10)11-6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethoxy)azetidine?
1-ethyl-3-(trifluoromethoxy)azetidine has a molecular weight of 169.15 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethoxy)azetidine is sourced from PubChem (CID 137409379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).