[(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate

C12H13FO2 — CID 57412701

IUPAC[(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C=C/c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c1-9(15-10(2)14)3-4-11-5-7-12(13)8-6-11/h3-9H,1-2H3/b4-3+
InChIKeySPDLJVGQQAJDMH-ONEGZZNKSA-N
MW208.23 g/mol
LogP2.79
Rot. Bonds3

About [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate

[(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate (PubChem CID 57412701) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate
PubChem CID57412701
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name[(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C=C/c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c1-9(15-10(2)14)3-4-11-5-7-12(13)8-6-11/h3-9H,1-2H3/b4-3+
InChIKeySPDLJVGQQAJDMH-ONEGZZNKSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(E)-4-(4-fluorophenyl)but-3-en-2-yl] 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

(+)-Kavain
CID 5281565
Cinnamyl Acetate
CID 5282110
Methyl Cinnamate
CID 637520
Ethyl Cinnamate
CID 637758
Cinnamyl isobutyrate
CID 5355851
Desmethoxyyangonin
CID 5273621
Isoamyl Cinnamate
CID 5273467
Allyl Cinnamate
CID 641423
Isobutyl Cinnamate
CID 778574
Goniothalamin
CID 6440856
Cinnamyl propionate
CID 5355850
Propyl Cinnamate
CID 5270647

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate?
The IUPAC name of [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate (CID 57412701) is [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate?
The canonical SMILES for [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate is CC(=O)OC(C)/C=C/c1ccc(F)cc1.
What is the InChIKey of [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate?
The InChIKey is SPDLJVGQQAJDMH-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H13FO2/c1-9(15-10(2)14)3-4-11-5-7-12(13)8-6-11/h3-9H,1-2H3/b4-3+.
What are the key properties of [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate?
[(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate has a molecular weight of 208.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(4-fluorophenyl)but-3-en-2-yl] acetate is sourced from PubChem (CID 57412701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).