cyclopentyl 2-(trifluoromethyl)benzoate

C13H13F3O2 — CID 599391

IUPACcyclopentyl 2-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3O2/c14-13(15,16)11-8-4-3-7-10(11)12(17)18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKeyIOYLSDOQNRBMPY-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.80
Rot. Bonds2

About cyclopentyl 2-(trifluoromethyl)benzoate

cyclopentyl 2-(trifluoromethyl)benzoate (PubChem CID 599391) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is cyclopentyl 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namecyclopentyl 2-(trifluoromethyl)benzoate
PubChem CID599391
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Namecyclopentyl 2-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3O2/c14-13(15,16)11-8-4-3-7-10(11)12(17)18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKeyIOYLSDOQNRBMPY-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

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Related Compounds

cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398
cyclopentyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 79884769
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
[2-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726256
cyclohexyl 2-aminobenzoate
CID 24510
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
CID 114971292
methyl 2-(trifluoromethyl)benzoate
CID 2775578
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
cyclopentyl 2-(methylamino)benzoate
CID 61278607

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(trifluoromethyl)benzoate?
The IUPAC name of cyclopentyl 2-(trifluoromethyl)benzoate (CID 599391) is cyclopentyl 2-(trifluoromethyl)benzoate.
What is the SMILES notation for cyclopentyl 2-(trifluoromethyl)benzoate?
The canonical SMILES for cyclopentyl 2-(trifluoromethyl)benzoate is O=C(OC1CCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of cyclopentyl 2-(trifluoromethyl)benzoate?
The InChIKey is IOYLSDOQNRBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)11-8-4-3-7-10(11)12(17)18-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2.
What are the key properties of cyclopentyl 2-(trifluoromethyl)benzoate?
cyclopentyl 2-(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 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 599391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).