phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate

C19H17F3O3 — CID 162181863

IUPACphenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1cc(OC2CCC2)cc(C(F)(F)F)c1)Oc1ccccc1
InChIInChI=1S/C19H17F3O3/c20-19(21,22)14-9-13(10-17(12-14)24-15-7-4-8-15)11-18(23)25-16-5-2-1-3-6-16/h1-3,5-6,9-10,12,15H,4,7-8,11H2
InChIKeyZPDCKYIKPSWFHP-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.78
Rot. Bonds5

About phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate

phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate (PubChem CID 162181863) has the molecular formula C19H17F3O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namephenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate
PubChem CID162181863
Molecular FormulaC19H17F3O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Namephenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1cc(OC2CCC2)cc(C(F)(F)F)c1)Oc1ccccc1
InChIInChI=1S/C19H17F3O3/c20-19(21,22)14-9-13(10-17(12-14)24-15-7-4-8-15)11-18(23)25-16-5-2-1-3-6-16/h1-3,5-6,9-10,12,15H,4,7-8,11H2
InChIKeyZPDCKYIKPSWFHP-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-[3-(4-fluoropiperidin-1-yl)-5-(trifluoromethyl)phenyl]acetate
CID 161285747
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
phenyl 2-phenylacetate;zinc
CID 70522084
3-[3-(phenoxycarbonylamino)-5-(trifluoromethyl)phenoxy]azetidine-1-carboxylic acid
CID 90019913
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
(4-carbamoylphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8803312
phenyl 2-[4-methoxy-3-(trifluoromethyl)phenyl]acetate
CID 157319709
phenyl 2-(3-fluorophenyl)acetate
CID 121272908
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 89332293
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate?
The IUPAC name of phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate (CID 162181863) is phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate is O=C(Cc1cc(OC2CCC2)cc(C(F)(F)F)c1)Oc1ccccc1.
What is the InChIKey of phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate?
The InChIKey is ZPDCKYIKPSWFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O3/c20-19(21,22)14-9-13(10-17(12-14)24-15-7-4-8-15)11-18(23)25-16-5-2-1-3-6-16/h1-3,5-6,9-10,12,15H,4,7-8,11H2.
What are the key properties of phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate?
phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate has a molecular weight of 350.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[3-cyclobutyloxy-5-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 162181863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).