2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine

C11H12F3NO — CID 130043562

IUPAC2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine
SMILESCOc1cc(C2CCN2)ccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-16-10-6-7(9-4-5-15-9)2-3-8(10)11(12,13)14/h2-3,6,9,15H,4-5H2,1H3
InChIKeyWODOQIJEOZTERI-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.75
Rot. Bonds2

About 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine

2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine (PubChem CID 130043562) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine.

Molecular Properties

Compound Name2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine
PubChem CID130043562
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine
SMILESCOc1cc(C2CCN2)ccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-16-10-6-7(9-4-5-15-9)2-3-8(10)11(12,13)14/h2-3,6,9,15H,4-5H2,1H3
InChIKeyWODOQIJEOZTERI-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
CID 55270648
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
CID 171197397
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
CID 70832667

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine?
The IUPAC name of 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine (CID 130043562) is 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine.
What is the SMILES notation for 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine?
The canonical SMILES for 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine is COc1cc(C2CCN2)ccc1C(F)(F)F.
What is the InChIKey of 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine?
The InChIKey is WODOQIJEOZTERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-10-6-7(9-4-5-15-9)2-3-8(10)11(12,13)14/h2-3,6,9,15H,4-5H2,1H3.
What are the key properties of 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine?
2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine has a molecular weight of 231.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(trifluoromethyl)phenyl]azetidine is sourced from PubChem (CID 130043562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).