2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine

C12H11F6NO3 — CID 130472690

IUPAC2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
SMILESFC(F)(F)c1cccc(OC2CNC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO.C2HF3O2/c11-10(12,13)7-2-1-3-8(4-7)15-9-5-14-6-9;3-2(4,5)1(6)7/h1-4,9,14H,5-6H2;(H,6,7)
InChIKeyIZVWERJUVHUGOA-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.69
Rot. Bonds2

About 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine

2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine (PubChem CID 130472690) has the molecular formula C12H11F6NO3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
PubChem CID130472690
Molecular FormulaC12H11F6NO3
Molecular Weight331.21 g/mol
Exact Mass331.06
IUPAC Name2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
SMILESFC(F)(F)c1cccc(OC2CNC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO.C2HF3O2/c11-10(12,13)7-2-1-3-8(4-7)15-9-5-14-6-9;3-2(4,5)1(6)7/h1-4,9,14H,5-6H2;(H,6,7)
InChIKeyIZVWERJUVHUGOA-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azetidin-3-yloxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 166747193
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255
(2R,3S)-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine;oxalic acid
CID 67885896
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
6-[3-(trifluoromethyl)phenoxy]-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 158356858
3-[5-chloro-2-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 87365346
2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
CID 67479763
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
CID 15053421
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine?
The IUPAC name of 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine (CID 130472690) is 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine is FC(F)(F)c1cccc(OC2CNC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine?
The InChIKey is IZVWERJUVHUGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.C2HF3O2/c11-10(12,13)7-2-1-3-8(4-7)15-9-5-14-6-9;3-2(4,5)1(6)7/h1-4,9,14H,5-6H2;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine?
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine has a molecular weight of 331.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine is sourced from PubChem (CID 130472690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).