methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate

C14H15F3O2 — CID 11097668

IUPACmethyl 4-cyclopentyl-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(C2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3O2/c1-19-13(18)10-6-7-11(9-4-2-3-5-9)12(8-10)14(15,16)17/h6-9H,2-5H2,1H3
InChIKeyRNESLRWEWHPCSY-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.15
Rot. Bonds2

About methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate

methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate (PubChem CID 11097668) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-cyclopentyl-3-(trifluoromethyl)benzoate
PubChem CID11097668
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Namemethyl 4-cyclopentyl-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(C2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H15F3O2/c1-19-13(18)10-6-7-11(9-4-2-3-5-9)12(8-10)14(15,16)17/h6-9H,2-5H2,1H3
InChIKeyRNESLRWEWHPCSY-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate?
The IUPAC name of methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate (CID 11097668) is methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate is COC(=O)c1ccc(C2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate?
The InChIKey is RNESLRWEWHPCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-19-13(18)10-6-7-11(9-4-2-3-5-9)12(8-10)14(15,16)17/h6-9H,2-5H2,1H3.
What are the key properties of methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate?
methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate has a molecular weight of 272.27 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopentyl-3-(trifluoromethyl)benzoate is sourced from PubChem (CID 11097668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).