2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid

C15H17F3O3 — CID 83921264

IUPAC2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(C(F)(F)F)cc1CCC1CC1C(=O)O
InChIInChI=1S/C15H17F3O3/c1-2-21-13-6-5-11(15(16,17)18)7-10(13)4-3-9-8-12(9)14(19)20/h5-7,9,12H,2-4,8H2,1H3,(H,19,20)
InChIKeySMZWEELCKYWIFY-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.76
Rot. Bonds6

About 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid

2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 83921264) has the molecular formula C15H17F3O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
PubChem CID83921264
Molecular FormulaC15H17F3O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(C(F)(F)F)cc1CCC1CC1C(=O)O
InChIInChI=1S/C15H17F3O3/c1-2-21-13-6-5-11(15(16,17)18)7-10(13)4-3-9-8-12(9)14(19)20/h5-7,9,12H,2-4,8H2,1H3,(H,19,20)
InChIKeySMZWEELCKYWIFY-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-[2-(5-bromo-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83934033
2-[2-[2-methoxy-5-(trifluoromethyl)phenyl]butyl]cyclopropane-1-carboxylic acid
CID 83921148
2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83941765
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
1-bromo-3-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616279
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83944113
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylheptan-4-one
CID 83921192
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid (CID 83921264) is 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid is CCOc1ccc(C(F)(F)F)cc1CCC1CC1C(=O)O.
What is the InChIKey of 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is SMZWEELCKYWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O3/c1-2-21-13-6-5-11(15(16,17)18)7-10(13)4-3-9-8-12(9)14(19)20/h5-7,9,12H,2-4,8H2,1H3,(H,19,20).
What are the key properties of 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid?
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83921264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).