2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid

C11H9F3O4 — CID 53465377

IUPAC2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)cc1OC1CC1
InChIInChI=1S/C11H9F3O4/c12-11(13,14)18-7-3-4-8(10(15)16)9(5-7)17-6-1-2-6/h3-6H,1-2H2,(H,15,16)
InChIKeyTVFVMDPMRBISCR-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.82
Rot. Bonds4

About 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid

2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid (PubChem CID 53465377) has the molecular formula C11H9F3O4 and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid
PubChem CID53465377
Molecular FormulaC11H9F3O4
Molecular Weight262.18 g/mol
Exact Mass262.05
IUPAC Name2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)cc1OC1CC1
InChIInChI=1S/C11H9F3O4/c12-11(13,14)18-7-3-4-8(10(15)16)9(5-7)17-6-1-2-6/h3-6H,1-2H2,(H,15,16)
InChIKeyTVFVMDPMRBISCR-UHFFFAOYSA-N
XLogP2.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
2-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170681921
2-bromo-1-cyclopropyloxy-4-(trifluoromethoxy)benzene
CID 22618198
2-dodecanoyloxy-4-(trifluoromethoxy)benzoic acid
CID 170681905
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
2,4-bis(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 162396628
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid?
The IUPAC name of 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid (CID 53465377) is 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid is O=C(O)c1ccc(OC(F)(F)F)cc1OC1CC1.
What is the InChIKey of 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid?
The InChIKey is TVFVMDPMRBISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O4/c12-11(13,14)18-7-3-4-8(10(15)16)9(5-7)17-6-1-2-6/h3-6H,1-2H2,(H,15,16).
What are the key properties of 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid?
2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid has a molecular weight of 262.18 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 53465377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).