1-but-3-enyl-4,5-diethoxy-2-fluorobenzene

C14H19FO2 — CID 83923126

IUPAC1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
SMILESC=CCCc1cc(OCC)c(OCC)cc1F
InChIInChI=1S/C14H19FO2/c1-4-7-8-11-9-13(16-5-2)14(17-6-3)10-12(11)15/h4,9-10H,1,5-8H2,2-3H3
InChIKeyLICDVYCKZYUNAW-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.74
Rot. Bonds7

About 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene

1-but-3-enyl-4,5-diethoxy-2-fluorobenzene (PubChem CID 83923126) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene.

Molecular Properties

Compound Name1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
PubChem CID83923126
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
SMILESC=CCCc1cc(OCC)c(OCC)cc1F
InChIInChI=1S/C14H19FO2/c1-4-7-8-11-9-13(16-5-2)14(17-6-3)10-12(11)15/h4,9-10H,1,5-8H2,2-3H3
InChIKeyLICDVYCKZYUNAW-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene 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

1-but-3-enyl-2-chloro-4,5-diethoxybenzene
CID 83943749
2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
1,2-diethoxy-4-fluoro-5-hex-3-ynylbenzene
CID 83923131
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
1-(4,5-diethoxy-2-fluorophenyl)heptane-3,4-diol
CID 83923176
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine
CID 83923067
2-ethoxy-4,5-difluorophenol
CID 131306358
1,2-diethoxy-4-fluoro-5-(2-methylbut-3-ynyl)benzene
CID 83923128
2-(2-ethoxy-4,5-difluorophenyl)ethanamine
CID 83880849
1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
CID 22295057

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene?
The IUPAC name of 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene (CID 83923126) is 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene.
What is the SMILES notation for 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene?
The canonical SMILES for 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene is C=CCCc1cc(OCC)c(OCC)cc1F.
What is the InChIKey of 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene?
The InChIKey is LICDVYCKZYUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-4-7-8-11-9-13(16-5-2)14(17-6-3)10-12(11)15/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene?
1-but-3-enyl-4,5-diethoxy-2-fluorobenzene has a molecular weight of 238.30 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4,5-diethoxy-2-fluorobenzene is sourced from PubChem (CID 83923126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).