cyclohexyl 2-(trifluoromethyl)benzoate

C14H15F3O2 — CID 599398

IUPACcyclohexyl 2-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3O2/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyNAYORXHZGCRFBB-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.19
Rot. Bonds2

About cyclohexyl 2-(trifluoromethyl)benzoate

cyclohexyl 2-(trifluoromethyl)benzoate (PubChem CID 599398) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is cyclohexyl 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namecyclohexyl 2-(trifluoromethyl)benzoate
PubChem CID599398
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Namecyclohexyl 2-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3O2/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyNAYORXHZGCRFBB-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
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
cyclohexyl 2-aminobenzoate
CID 24510
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 127539075
[2-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726256
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
cyclohexyl 2-formyloxybenzoate
CID 54103583
cyclohexyl 2-(methylamino)benzoate
CID 61278808
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194
7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
CID 114971292

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(trifluoromethyl)benzoate?
The IUPAC name of cyclohexyl 2-(trifluoromethyl)benzoate (CID 599398) is cyclohexyl 2-(trifluoromethyl)benzoate.
What is the SMILES notation for cyclohexyl 2-(trifluoromethyl)benzoate?
The canonical SMILES for cyclohexyl 2-(trifluoromethyl)benzoate is O=C(OC1CCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of cyclohexyl 2-(trifluoromethyl)benzoate?
The InChIKey is NAYORXHZGCRFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c15-14(16,17)12-9-5-4-8-11(12)13(18)19-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2.
What are the key properties of cyclohexyl 2-(trifluoromethyl)benzoate?
cyclohexyl 2-(trifluoromethyl)benzoate has a molecular weight of 272.27 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 599398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).