3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine

C12H14F3NO — CID 172798523

IUPAC3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
SMILESCC(OC1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-8(17-11-6-16-7-11)9-3-2-4-10(5-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeyQNNGMVHAIUTJLW-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.75
Rot. Bonds3

About 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine

3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine (PubChem CID 172798523) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine.

Molecular Properties

Compound Name3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
PubChem CID172798523
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
SMILESCC(OC1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-8(17-11-6-16-7-11)9-3-2-4-10(5-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeyQNNGMVHAIUTJLW-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 22451532
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
3-[5-chloro-2-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 87365346
(7aS)-5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 143439119
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
CID 66183131
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine
CID 67346288
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride
CID 67347792
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine?
The IUPAC name of 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine (CID 172798523) is 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine.
What is the SMILES notation for 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine?
The canonical SMILES for 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine is CC(OC1CNC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine?
The InChIKey is QNNGMVHAIUTJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8(17-11-6-16-7-11)9-3-2-4-10(5-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3.
What are the key properties of 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine?
3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine has a molecular weight of 245.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine is sourced from PubChem (CID 172798523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).