2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid

C13H13F3O3 — CID 114157343

IUPAC2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1OCCC1CC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)9-3-4-11(10(7-9)12(17)18)19-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,17,18)
InChIKeyGJYDBLGNWDXEKP-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.58
Rot. Bonds5

About 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid

2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid (PubChem CID 114157343) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid
PubChem CID114157343
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1OCCC1CC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)9-3-4-11(10(7-9)12(17)18)19-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,17,18)
InChIKeyGJYDBLGNWDXEKP-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
2-(3,3-dimethylbutoxy)-5-(trifluoromethyl)benzoic acid
CID 66225523
2-[2-(2-methoxyethoxy)ethoxy]-5-(trifluoromethyl)benzoic acid
CID 104560463
2-bromo-4-(2-cyclopropylethoxy)-3-fluorobenzoic acid
CID 106206412
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
CID 167714402
3-(2-cyclopropylethoxy)-2-methylbenzoic acid
CID 82827361
3-bromo-4-(2-cyclobutylethoxy)benzoic acid
CID 106206434
4-oxo-4-[2-propoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262879
2-[cyclopropylmethyl(ethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63940124
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-(cyclopropanecarbonylamino)benzoic acid
CID 67175276

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid (CID 114157343) is 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)ccc1OCCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid?
The InChIKey is GJYDBLGNWDXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c14-13(15,16)9-3-4-11(10(7-9)12(17)18)19-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,17,18).
What are the key properties of 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid?
2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid has a molecular weight of 274.24 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 114157343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).