[4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate

C19H17F3O4 — CID 141290260

IUPAC[4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)cc2)C(F)(F)F)cc1
InChIInChI=1S/C19H17F3O4/c1-12(23)25-16-8-4-14(5-9-16)18(3,19(20,21)22)15-6-10-17(11-7-15)26-13(2)24/h4-11H,1-3H3
InChIKeyWSUGCIMAXUSXMD-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.41
Rot. Bonds4

About [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate

[4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate (PubChem CID 141290260) has the molecular formula C19H17F3O4 and a molecular weight of 366.34 g/mol. Its IUPAC name is [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate
PubChem CID141290260
Molecular FormulaC19H17F3O4
Molecular Weight366.34 g/mol
Exact Mass366.11
IUPAC Name[4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)cc2)C(F)(F)F)cc1
InChIInChI=1S/C19H17F3O4/c1-12(23)25-16-8-4-14(5-9-16)18(3,19(20,21)22)15-6-10-17(11-7-15)26-13(2)24/h4-11H,1-3H3
InChIKeyWSUGCIMAXUSXMD-UHFFFAOYSA-N
XLogP4.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate 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-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 18728940
[4-[2-[4-(4-ethylbenzoyl)oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenyl] 4-ethylbenzoate
CID 58309030
[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 22947159
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159467125
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587
[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate
CID 59036912
ethane;methane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 159845877
(4-methylphenyl) acetate;zinc
CID 159589232
1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 58413473
[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] benzoate
CID 22959507
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate?
The IUPAC name of [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate (CID 141290260) is [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate.
What is the SMILES notation for [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate?
The canonical SMILES for [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate is CC(=O)Oc1ccc(C(C)(c2ccc(OC(C)=O)cc2)C(F)(F)F)cc1.
What is the InChIKey of [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate?
The InChIKey is WSUGCIMAXUSXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3O4/c1-12(23)25-16-8-4-14(5-9-16)18(3,19(20,21)22)15-6-10-17(11-7-15)26-13(2)24/h4-11H,1-3H3.
What are the key properties of [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate?
[4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate has a molecular weight of 366.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-acetyloxyphenyl)-1,1,1-trifluoropropan-2-yl]phenyl] acetate is sourced from PubChem (CID 141290260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).