2-but-3-enyl-1-ethoxy-4-fluorobenzene

C12H15FO — CID 83944059

IUPAC2-but-3-enyl-1-ethoxy-4-fluorobenzene
SMILESC=CCCc1cc(F)ccc1OCC
InChIInChI=1S/C12H15FO/c1-3-5-6-10-9-11(13)7-8-12(10)14-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeyLKRJWIQRVFENSF-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.34
Rot. Bonds5

About 2-but-3-enyl-1-ethoxy-4-fluorobenzene

2-but-3-enyl-1-ethoxy-4-fluorobenzene (PubChem CID 83944059) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-but-3-enyl-1-ethoxy-4-fluorobenzene.

Molecular Properties

Compound Name2-but-3-enyl-1-ethoxy-4-fluorobenzene
PubChem CID83944059
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-but-3-enyl-1-ethoxy-4-fluorobenzene
SMILESC=CCCc1cc(F)ccc1OCC
InChIInChI=1S/C12H15FO/c1-3-5-6-10-9-11(13)7-8-12(10)14-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeyLKRJWIQRVFENSF-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
CID 83923126
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane
CID 83944069
1-but-3-enyl-2-chloro-4,5-diethoxybenzene
CID 83943749
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
(2-but-3-enyl-4-fluorophenyl)methanol
CID 118307025
(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol
CID 129368321
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
1-[4-[2-[4-(4-but-3-enylphenyl)phenyl]ethyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607362
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1-ethoxy-4-fluorobenzene?
The IUPAC name of 2-but-3-enyl-1-ethoxy-4-fluorobenzene (CID 83944059) is 2-but-3-enyl-1-ethoxy-4-fluorobenzene.
What is the SMILES notation for 2-but-3-enyl-1-ethoxy-4-fluorobenzene?
The canonical SMILES for 2-but-3-enyl-1-ethoxy-4-fluorobenzene is C=CCCc1cc(F)ccc1OCC.
What is the InChIKey of 2-but-3-enyl-1-ethoxy-4-fluorobenzene?
The InChIKey is LKRJWIQRVFENSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-3-5-6-10-9-11(13)7-8-12(10)14-4-2/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 2-but-3-enyl-1-ethoxy-4-fluorobenzene?
2-but-3-enyl-1-ethoxy-4-fluorobenzene has a molecular weight of 194.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1-ethoxy-4-fluorobenzene is sourced from PubChem (CID 83944059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).