ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate

C21H20F4O5 — CID 71715891

IUPACethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
SMILESCCOC(=O)CC1(c2ccc(OCc3ccc(OC(F)(F)F)c(F)c3)cc2)COC1
InChIInChI=1S/C21H20F4O5/c1-2-28-19(26)10-20(12-27-13-20)15-4-6-16(7-5-15)29-11-14-3-8-18(17(22)9-14)30-21(23,24)25/h3-9H,2,10-13H2,1H3
InChIKeyPARJSTGLVLTEGS-UHFFFAOYSA-N
MW428.38 g/mol
LogP4.52
Rot. Bonds8

About ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate

ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate (PubChem CID 71715891) has the molecular formula C21H20F4O5 and a molecular weight of 428.38 g/mol. Its IUPAC name is ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
PubChem CID71715891
Molecular FormulaC21H20F4O5
Molecular Weight428.38 g/mol
Exact Mass428.12
IUPAC Nameethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
SMILESCCOC(=O)CC1(c2ccc(OCc3ccc(OC(F)(F)F)c(F)c3)cc2)COC1
InChIInChI=1S/C21H20F4O5/c1-2-28-19(26)10-20(12-27-13-20)15-4-6-16(7-5-15)29-11-14-3-8-18(17(22)9-14)30-21(23,24)25/h3-9H,2,10-13H2,1H3
InChIKeyPARJSTGLVLTEGS-UHFFFAOYSA-N
XLogP4.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate 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

ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
CID 71715835
ethyl 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
CID 71715892
ethyl 2-[3-(4-chlorophenyl)oxetan-3-yl]acetate
CID 46204178
2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 71715836
ethyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoate
CID 122642075
ethyl 2-[3-[4-[[3-[4-[(1,1-dioxothiolan-3-yl)methoxy]-2,6-dimethylphenyl]phenyl]methoxy]phenyl]oxetan-3-yl]acetate
CID 71715153
[3-fluoro-4-(trifluoromethoxy)phenyl] 3-[4-[6-[(3-ethyloxetan-3-yl)methoxy]hexoxy]phenyl]propanoate
CID 59767519
ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
CID 170998065
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638973
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate?
The IUPAC name of ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate (CID 71715891) is ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate?
The canonical SMILES for ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate is CCOC(=O)CC1(c2ccc(OCc3ccc(OC(F)(F)F)c(F)c3)cc2)COC1.
What is the InChIKey of ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate?
The InChIKey is PARJSTGLVLTEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4O5/c1-2-28-19(26)10-20(12-27-13-20)15-4-6-16(7-5-15)29-11-14-3-8-18(17(22)9-14)30-21(23,24)25/h3-9H,2,10-13H2,1H3.
What are the key properties of ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate?
ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate has a molecular weight of 428.38 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate is sourced from PubChem (CID 71715891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).