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

C12H11F3O3 — CID 55107907

IUPAC2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1OCC1CC1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)8-3-4-10(9(5-8)11(16)17)18-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17)
InChIKeyLHABMOORGXGRNK-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.19
Rot. Bonds4

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

2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid (PubChem CID 55107907) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
PubChem CID55107907
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(C(F)(F)F)ccc1OCC1CC1
InChIInChI=1S/C12H11F3O3/c13-12(14,15)8-3-4-10(9(5-8)11(16)17)18-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17)
InChIKeyLHABMOORGXGRNK-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid
CID 114157343
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
2-(3,3-dimethylbutoxy)-5-(trifluoromethyl)benzoic acid
CID 66225523
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 66323053
2-(cyclohexylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 63520358
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
2-[2-(2-methoxyethoxy)ethoxy]-5-(trifluoromethyl)benzoic acid
CID 104560463
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid (CID 55107907) is 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(C(F)(F)F)ccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid?
The InChIKey is LHABMOORGXGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3/c13-12(14,15)8-3-4-10(9(5-8)11(16)17)18-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17).
What are the key properties of 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid?
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid has a molecular weight of 260.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 55107907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).