ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate

C14H17F3O3 — CID 83043039

IUPACethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate
SMILESCCCC(C(=O)OCC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H17F3O3/c1-3-7-11(13(18)19-4-2)10-8-5-6-9-12(10)20-14(15,16)17/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyOGWMDVBAMBIWFR-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.03
Rot. Bonds6

About ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate

ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate (PubChem CID 83043039) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate
PubChem CID83043039
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Nameethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate
SMILESCCCC(C(=O)OCC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H17F3O3/c1-3-7-11(13(18)19-4-2)10-8-5-6-9-12(10)20-14(15,16)17/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyOGWMDVBAMBIWFR-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]propanoate
CID 79366819
ethyl (3R)-3-amino-2-fluoro-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243069
2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 83042460
ethyl 2,2-difluoro-2-(2-propan-2-ylphenoxy)acetate
CID 66452195
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
1-fluorobutyl 5-amino-4-[2-(trifluoromethoxy)phenyl]pentanoate
CID 146368383
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
5-ethoxy-4-(2-fluorophenyl)-5-oxopentanoic acid
CID 10890444
[2-methoxy-1-[2-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105271821
methyl 3-methyl-2-[2-(trifluoromethoxy)phenyl]butanoate
CID 55071882

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate?
The IUPAC name of ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate (CID 83043039) is ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate.
What is the SMILES notation for ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate?
The canonical SMILES for ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate is CCCC(C(=O)OCC)c1ccccc1OC(F)(F)F.
What is the InChIKey of ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate?
The InChIKey is OGWMDVBAMBIWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c1-3-7-11(13(18)19-4-2)10-8-5-6-9-12(10)20-14(15,16)17/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate?
ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate has a molecular weight of 290.28 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate is sourced from PubChem (CID 83043039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).