cyclopentyl 4-(trifluoromethyl)benzoate

C13H13F3O2 — CID 599230

IUPACcyclopentyl 4-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-7-5-9(6-8-10)12(17)18-11-3-1-2-4-11/h5-8,11H,1-4H2
InChIKeyBDILDDCVLWOFHX-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.80
Rot. Bonds2

About cyclopentyl 4-(trifluoromethyl)benzoate

cyclopentyl 4-(trifluoromethyl)benzoate (PubChem CID 599230) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is cyclopentyl 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namecyclopentyl 4-(trifluoromethyl)benzoate
PubChem CID599230
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Namecyclopentyl 4-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-7-5-9(6-8-10)12(17)18-11-3-1-2-4-11/h5-8,11H,1-4H2
InChIKeyBDILDDCVLWOFHX-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopentyl 4-(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

Related Compounds

(4-acetyloxycyclohexyl) 4-(trifluoromethyl)benzoate
CID 58289310
cyclopentyl 4-fluorobenzoate
CID 579482
[3-[4-(trifluoromethyl)benzoyl]oxy-2-bicyclo[2.2.2]octanyl] 4-(trifluoromethyl)benzoate
CID 170939255
(3-bromocyclobutyl) 4-(trifluoromethyl)benzoate
CID 89161297
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194
[4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] 4-(trifluoromethyl)benzoate
CID 19613099
cyclopropyl 4-fluorobenzoate
CID 126986458
amino 4-(trifluoromethyl)benzoate
CID 23201930
cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55486099
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
[4-[(Z)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] 4-(trifluoromethyl)benzoate
CID 67590934

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(trifluoromethyl)benzoate?
The IUPAC name of cyclopentyl 4-(trifluoromethyl)benzoate (CID 599230) is cyclopentyl 4-(trifluoromethyl)benzoate.
What is the SMILES notation for cyclopentyl 4-(trifluoromethyl)benzoate?
The canonical SMILES for cyclopentyl 4-(trifluoromethyl)benzoate is O=C(OC1CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of cyclopentyl 4-(trifluoromethyl)benzoate?
The InChIKey is BDILDDCVLWOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)10-7-5-9(6-8-10)12(17)18-11-3-1-2-4-11/h5-8,11H,1-4H2.
What are the key properties of cyclopentyl 4-(trifluoromethyl)benzoate?
cyclopentyl 4-(trifluoromethyl)benzoate has a molecular weight of 258.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 599230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).