3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate

C15H14F3O3- — CID 170686044

IUPAC3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
SMILESC=CC1(Oc2cc(C(=O)[O-])ccc2C(F)(F)F)CCCC1
InChIInChI=1S/C15H15F3O3/c1-2-14(7-3-4-8-14)21-12-9-10(13(19)20)5-6-11(12)15(16,17)18/h2,5-6,9H,1,3-4,7-8H2,(H,19,20)/p-1
InChIKeyWCTRUUYGFWRRAM-UHFFFAOYSA-M
MW299.27 g/mol
LogP2.95
Rot. Bonds4

About 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate

3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate (PubChem CID 170686044) has the molecular formula C15H14F3O3- and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
PubChem CID170686044
Molecular FormulaC15H14F3O3-
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
SMILESC=CC1(Oc2cc(C(=O)[O-])ccc2C(F)(F)F)CCCC1
InChIInChI=1S/C15H15F3O3/c1-2-14(7-3-4-8-14)21-12-9-10(13(19)20)5-6-11(12)15(16,17)18/h2,5-6,9H,1,3-4,7-8H2,(H,19,20)/p-1
InChIKeyWCTRUUYGFWRRAM-UHFFFAOYSA-M
XLogP2.95
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoic acid
CID 170686045
phenyl 3-(1-ethenylcyclohexyl)oxy-4-(trifluoromethyl)benzoate
CID 177111339
3-(1-propan-2-ylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
CID 170686014
3-[1-(2-phenylethynyl)cyclohexyl]oxy-4-(trifluoromethyl)benzoate
CID 170686022
3-(1-ethenylcyclopentyl)oxy-4-nitrobenzoic acid
CID 170686465
3-(1-phenylcyclohexyl)oxy-4-(trifluoromethyl)benzoic acid
CID 170686319
3-[(2-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)oxy]-4-(trifluoromethyl)benzoate
CID 170686106
3-(1-phenylcyclopentyl)oxycarbonyloxy-4-(trifluoromethyl)benzoic acid
CID 170685941
phenyl 3-(1-tert-butylcyclohexyl)oxy-4-(trifluoromethyl)benzoate
CID 177111177
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
3-[1-(1-adamantylmethoxy)-2-methylpropoxy]-4-(trifluoromethyl)benzoate
CID 170686515
2-[3-[1-(2-cyclohexylethynyl)cyclohexyl]oxy-4-(trifluoromethyl)benzoyl]oxyethanesulfonate
CID 177111565

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate?
The IUPAC name of 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate (CID 170686044) is 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate.
What is the SMILES notation for 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate?
The canonical SMILES for 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate is C=CC1(Oc2cc(C(=O)[O-])ccc2C(F)(F)F)CCCC1.
What is the InChIKey of 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate?
The InChIKey is WCTRUUYGFWRRAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15F3O3/c1-2-14(7-3-4-8-14)21-12-9-10(13(19)20)5-6-11(12)15(16,17)18/h2,5-6,9H,1,3-4,7-8H2,(H,19,20)/p-1.
What are the key properties of 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate?
3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate has a molecular weight of 299.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenylcyclopentyl)oxy-4-(trifluoromethyl)benzoate is sourced from PubChem (CID 170686044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).