ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate

C13H13F3O3 — CID 142550431

IUPACethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(Oc2c(F)cc(F)cc2F)C1
InChIInChI=1S/C13H13F3O3/c1-2-18-13(17)7-3-9(4-7)19-12-10(15)5-8(14)6-11(12)16/h5-7,9H,2-4H2,1H3
InChIKeyWYYMSXZZYSRPBJ-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.82
Rot. Bonds4

About ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate

ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate (PubChem CID 142550431) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate
PubChem CID142550431
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Nameethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(Oc2c(F)cc(F)cc2F)C1
InChIInChI=1S/C13H13F3O3/c1-2-18-13(17)7-3-9(4-7)19-12-10(15)5-8(14)6-11(12)16/h5-7,9H,2-4H2,1H3
InChIKeyWYYMSXZZYSRPBJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate 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 4-[4-(4-aminobutanoyl)-2,6-difluorophenoxy]cyclohexane-1-carboxylate
CID 162247259
[3-(2,4,6-trifluorophenoxy)cyclobutyl] 2-methyloctanoate
CID 175017915
ethyl 3,4-difluorocyclopentane-1-carboxylate
CID 155893125
ethyl 3-fluorocyclobutane-1-carboxylate
CID 83853922
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
ethyl 5,7-difluoro-2,3-dihydro-1H-indole-2-carboxylate
CID 131512991
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
ethyl 4-(2-amino-4-fluoroanilino)cyclohexane-1-carboxylate
CID 67213320
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate (CID 142550431) is ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate is CCOC(=O)C1CC(Oc2c(F)cc(F)cc2F)C1.
What is the InChIKey of ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate?
The InChIKey is WYYMSXZZYSRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c1-2-18-13(17)7-3-9(4-7)19-12-10(15)5-8(14)6-11(12)16/h5-7,9H,2-4H2,1H3.
What are the key properties of ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate?
ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate has a molecular weight of 274.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4,6-trifluorophenoxy)cyclobutane-1-carboxylate is sourced from PubChem (CID 142550431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).