1-[2-(trifluoromethoxy)ethyl]azetidine

C6H10F3NO — CID 131225941

IUPAC1-[2-(trifluoromethoxy)ethyl]azetidine
SMILESFC(F)(F)OCCN1CCC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)11-5-4-10-2-1-3-10/h1-5H2
InChIKeyCKJVYLISJTVIHL-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.23
Rot. Bonds3

About 1-[2-(trifluoromethoxy)ethyl]azetidine

1-[2-(trifluoromethoxy)ethyl]azetidine (PubChem CID 131225941) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]azetidine.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]azetidine
PubChem CID131225941
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1-[2-(trifluoromethoxy)ethyl]azetidine
SMILESFC(F)(F)OCCN1CCC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)11-5-4-10-2-1-3-10/h1-5H2
InChIKeyCKJVYLISJTVIHL-UHFFFAOYSA-N
XLogP1.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2-[3-(Difluoromethoxy)azetidin-1-yl]ethan-1-ol
CID 131227819
3-(Difluoromethoxy)-1-methylazetidine
CID 117744070
2-(3,3-Difluoroazetidin-1-yl)ethan-1-ol
CID 118169775
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
1-Methyl-3-(trifluoromethoxy)azetidine
CID 122534000
3-(Fluoromethyl)-1-(2-methoxyethyl)azetidine
CID 123322216
3,3-Difluoro-1-(3-methoxypropyl)azetidine
CID 130270319
1-(2,2-Difluoroethyl)-2-(methoxymethyl)azetidine
CID 131229680
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521
1-Ethyl-3-(trifluoromethoxy)azetidine
CID 137409379
1-Propan-2-yl-3-(trifluoromethoxy)azetidine
CID 137409406
3-(Difluoromethyl)-1-(2-methoxyethyl)azetidine
CID 137445424

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]azetidine?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]azetidine (CID 131225941) is 1-[2-(trifluoromethoxy)ethyl]azetidine.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]azetidine?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]azetidine is FC(F)(F)OCCN1CCC1.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]azetidine?
The InChIKey is CKJVYLISJTVIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)11-5-4-10-2-1-3-10/h1-5H2.
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]azetidine?
1-[2-(trifluoromethoxy)ethyl]azetidine has a molecular weight of 169.15 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]azetidine is sourced from PubChem (CID 131225941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).