1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid

C18H13F3O4 — CID 156775962

IUPAC1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid
SMILESO=C(c1ccc(OC2(C(=O)O)CC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3O4/c19-18(20,21)13-5-1-11(2-6-13)15(22)12-3-7-14(8-4-12)25-17(9-10-17)16(23)24/h1-8H,9-10H2,(H,23,24)
InChIKeyRPBYCCVJFBIKLA-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.93
Rot. Bonds5

About 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid

1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid (PubChem CID 156775962) has the molecular formula C18H13F3O4 and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid
PubChem CID156775962
Molecular FormulaC18H13F3O4
Molecular Weight350.29 g/mol
Exact Mass350.08
IUPAC Name1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid
SMILESO=C(c1ccc(OC2(C(=O)O)CC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3O4/c19-18(20,21)13-5-1-11(2-6-13)15(22)12-3-7-14(8-4-12)25-17(9-10-17)16(23)24/h1-8H,9-10H2,(H,23,24)
InChIKeyRPBYCCVJFBIKLA-UHFFFAOYSA-N
XLogP3.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylphenoxy)cyclopropane-1-carboxylic acid
CID 156775993
1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid
CID 156775987
CID 161391832
CID 161391832
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
[4-(4-methoxybenzoyl)phenyl] 4-(trifluoromethyl)benzoate
CID 101231372
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
(1-aminocyclopropyl)-[4-(trifluoromethyl)phenyl]methanone
CID 116576679
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970678
(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone
CID 168907554
(5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylic acid
CID 59648064
pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095554
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid (CID 156775962) is 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid is O=C(c1ccc(OC2(C(=O)O)CC2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid?
The InChIKey is RPBYCCVJFBIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O4/c19-18(20,21)13-5-1-11(2-6-13)15(22)12-3-7-14(8-4-12)25-17(9-10-17)16(23)24/h1-8H,9-10H2,(H,23,24).
What are the key properties of 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid?
1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid has a molecular weight of 350.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 156775962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).