cyclohexyl 3-(trifluoromethyl)benzoate

C14H15F3O2 — CID 599270

IUPACcyclohexyl 3-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3O2/c15-14(16,17)11-6-4-5-10(9-11)13(18)19-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2
InChIKeyBUUCRVZKCQCRGJ-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.19
Rot. Bonds2

About cyclohexyl 3-(trifluoromethyl)benzoate

cyclohexyl 3-(trifluoromethyl)benzoate (PubChem CID 599270) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is cyclohexyl 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namecyclohexyl 3-(trifluoromethyl)benzoate
PubChem CID599270
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Namecyclohexyl 3-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3O2/c15-14(16,17)11-6-4-5-10(9-11)13(18)19-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2
InChIKeyBUUCRVZKCQCRGJ-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

Benzyl Benzoate
CID 2345
Methyl Benzoate
CID 7150
Butyl Benzoate
CID 8698
Hexyl benzoate
CID 23235
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Isobutyl Benzoate
CID 61048
Isoamyl benzoate
CID 7193
Di-O-benzoyldiethylene glycol
CID 8437

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-(trifluoromethyl)benzoate?
The IUPAC name of cyclohexyl 3-(trifluoromethyl)benzoate (CID 599270) is cyclohexyl 3-(trifluoromethyl)benzoate.
What is the SMILES notation for cyclohexyl 3-(trifluoromethyl)benzoate?
The canonical SMILES for cyclohexyl 3-(trifluoromethyl)benzoate is O=C(OC1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of cyclohexyl 3-(trifluoromethyl)benzoate?
The InChIKey is BUUCRVZKCQCRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c15-14(16,17)11-6-4-5-10(9-11)13(18)19-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2.
What are the key properties of cyclohexyl 3-(trifluoromethyl)benzoate?
cyclohexyl 3-(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 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 599270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).