(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate

C11H9F3O2 — CID 11984228

IUPAC(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
SMILESCC(=O)OC(C(F)=C(F)F)c1ccccc1
InChIInChI=1S/C11H9F3O2/c1-7(15)16-10(9(12)11(13)14)8-5-3-2-4-6-8/h2-6,10H,1H3
InChIKeyODSQDWPYYAREIE-UHFFFAOYSA-N
MW230.18 g/mol
LogP3.37
Rot. Bonds3

About (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate

(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate (PubChem CID 11984228) has the molecular formula C11H9F3O2 and a molecular weight of 230.18 g/mol. Its IUPAC name is (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate.

Molecular Properties

Compound Name(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
PubChem CID11984228
Molecular FormulaC11H9F3O2
Molecular Weight230.18 g/mol
Exact Mass230.06
IUPAC Name(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
SMILESCC(=O)OC(C(F)=C(F)F)c1ccccc1
InChIInChI=1S/C11H9F3O2/c1-7(15)16-10(9(12)11(13)14)8-5-3-2-4-6-8/h2-6,10H,1H3
InChIKeyODSQDWPYYAREIE-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,3,3-trifluoro-1-phenylprop-2-enyl) 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

acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
tert-butyl (2,3,3-trifluoro-1-phenylprop-2-enyl) carbonate
CID 122223212
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
(2-methylidene-1-phenylbut-3-enyl) acetate
CID 10774469
(2-fluorophenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577967
methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
(2-ethylsulfanyl-2-oxo-1-phenylethyl) acetate
CID 12812078
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
CID 6328799
CID 6328799
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate
CID 67347861
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702

Frequently Asked Questions

What is the IUPAC name of (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate?
The IUPAC name of (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate (CID 11984228) is (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate.
What is the SMILES notation for (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate?
The canonical SMILES for (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate is CC(=O)OC(C(F)=C(F)F)c1ccccc1.
What is the InChIKey of (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate?
The InChIKey is ODSQDWPYYAREIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c1-7(15)16-10(9(12)11(13)14)8-5-3-2-4-6-8/h2-6,10H,1H3.
What are the key properties of (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate?
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate has a molecular weight of 230.18 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3-trifluoro-1-phenylprop-2-enyl) acetate is sourced from PubChem (CID 11984228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).