3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine

C11H11F4NO — CID 122238602

IUPAC3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESFc1cccc(C(F)(F)F)c1COC1CNC1
InChIInChI=1S/C11H11F4NO/c12-10-3-1-2-9(11(13,14)15)8(10)6-17-7-4-16-5-7/h1-3,7,16H,4-6H2
InChIKeyARUCNGQLURUOHT-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.33
Rot. Bonds3

About 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine

3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine (PubChem CID 122238602) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine.

Molecular Properties

Compound Name3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine
PubChem CID122238602
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESFc1cccc(C(F)(F)F)c1COC1CNC1
InChIInChI=1S/C11H11F4NO/c12-10-3-1-2-9(11(13,14)15)8(10)6-17-7-4-16-5-7/h1-3,7,16H,4-6H2
InChIKeyARUCNGQLURUOHT-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979
3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine
CID 158758126
3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine
CID 146589611
2-(butoxymethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 91727031
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
CID 66842407
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 53434186
3-[(4-fluorophenyl)methoxy]azetidine;hydrochloride
CID 75485348
1-fluoro-2-(hexan-3-yloxymethyl)-3-(trifluoromethyl)benzene
CID 130204928
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
CID 10356638
3-[2-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]azetidine;4-methylbenzenesulfonic acid
CID 146380728
3-[(2,6-difluorophenyl)methyl]azetidine;hydrochloride
CID 54596092

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine?
The IUPAC name of 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine (CID 122238602) is 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine.
What is the SMILES notation for 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine?
The canonical SMILES for 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine is Fc1cccc(C(F)(F)F)c1COC1CNC1.
What is the InChIKey of 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine?
The InChIKey is ARUCNGQLURUOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-10-3-1-2-9(11(13,14)15)8(10)6-17-7-4-16-5-7/h1-3,7,16H,4-6H2.
What are the key properties of 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine?
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine has a molecular weight of 249.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine is sourced from PubChem (CID 122238602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).