1-(3-fluorophenyl)prop-2-enyl acetate

C11H11FO2 — CID 18187447

IUPAC1-(3-fluorophenyl)prop-2-enyl acetate
SMILESC=CC(OC(C)=O)c1cccc(F)c1
InChIInChI=1S/C11H11FO2/c1-3-11(14-8(2)13)9-5-4-6-10(12)7-9/h3-7,11H,1H2,2H3
InChIKeyWJNNCIVASRAEMP-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-fluorophenyl)prop-2-enyl acetate

1-(3-fluorophenyl)prop-2-enyl acetate (PubChem CID 18187447) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-(3-fluorophenyl)prop-2-enyl acetate.

Molecular Properties

Compound Name1-(3-fluorophenyl)prop-2-enyl acetate
PubChem CID18187447
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name1-(3-fluorophenyl)prop-2-enyl acetate
SMILESC=CC(OC(C)=O)c1cccc(F)c1
InChIInChI=1S/C11H11FO2/c1-3-11(14-8(2)13)9-5-4-6-10(12)7-9/h3-7,11H,1H2,2H3
InChIKeyWJNNCIVASRAEMP-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate
CID 101031330
[bromo-(3-fluorophenyl)methyl] acetate
CID 174595381
[(R)-cyano-(3-fluorophenyl)methyl] acetate
CID 14451527
1-(4-propan-2-ylphenyl)prop-2-enyl acetate
CID 169084542
[(1S)-1-(1,3-benzodioxol-5-yl)prop-2-enyl] acetate
CID 121493501
[4-[(1S)-1-acetyloxyprop-2-enyl]-2-chlorophenyl] acetate
CID 46884765
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
CID 101384633
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)prop-2-enyl acetate?
The IUPAC name of 1-(3-fluorophenyl)prop-2-enyl acetate (CID 18187447) is 1-(3-fluorophenyl)prop-2-enyl acetate.
What is the SMILES notation for 1-(3-fluorophenyl)prop-2-enyl acetate?
The canonical SMILES for 1-(3-fluorophenyl)prop-2-enyl acetate is C=CC(OC(C)=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)prop-2-enyl acetate?
The InChIKey is WJNNCIVASRAEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-3-11(14-8(2)13)9-5-4-6-10(12)7-9/h3-7,11H,1H2,2H3.
What are the key properties of 1-(3-fluorophenyl)prop-2-enyl acetate?
1-(3-fluorophenyl)prop-2-enyl acetate has a molecular weight of 194.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)prop-2-enyl acetate is sourced from PubChem (CID 18187447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).