1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene

C19H19F3O — CID 118320446

IUPAC1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene
SMILESCCOc1ccc(-c2ccc(CCC=C(C)F)cc2)c(F)c1F
InChIInChI=1S/C19H19F3O/c1-3-23-17-12-11-16(18(21)19(17)22)15-9-7-14(8-10-15)6-4-5-13(2)20/h5,7-12H,3-4,6H2,1-2H3
InChIKeyUIAVKOCSJSJLTG-UHFFFAOYSA-N
MW320.35 g/mol
LogP5.84
Rot. Bonds6

About 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene

1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene (PubChem CID 118320446) has the molecular formula C19H19F3O and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene
PubChem CID118320446
Molecular FormulaC19H19F3O
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene
SMILESCCOc1ccc(-c2ccc(CCC=C(C)F)cc2)c(F)c1F
InChIInChI=1S/C19H19F3O/c1-3-23-17-12-11-16(18(21)19(17)22)15-9-7-14(8-10-15)6-4-5-13(2)20/h5,7-12H,3-4,6H2,1-2H3
InChIKeyUIAVKOCSJSJLTG-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.35
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene 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

2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
1-[4-[2-[4-(4-but-3-enylphenyl)phenyl]ethyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607362
1-ethoxy-2,3-difluoro-4-[2-[4-(5-fluorohex-4-enyl)phenyl]ethyl]benzene
CID 123410240
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene
CID 77417109
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
1-(4-but-3-enylphenyl)-2,3-difluoro-4-pentoxybenzene
CID 20621671
[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
CID 58141328
1-ethoxy-2,3-difluoro-4-[4-[2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]ethyl]phenyl]benzene
CID 58140862
4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene
CID 158187242
1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 118320421
1-[4-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607090
1-dodecoxy-4-[4-(4-dodecylphenyl)phenyl]-2,3-difluorobenzene
CID 54324637

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene (CID 118320446) is 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene is CCOc1ccc(-c2ccc(CCC=C(C)F)cc2)c(F)c1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene?
The InChIKey is UIAVKOCSJSJLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O/c1-3-23-17-12-11-16(18(21)19(17)22)15-9-7-14(8-10-15)6-4-5-13(2)20/h5,7-12H,3-4,6H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene has a molecular weight of 320.35 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[4-(4-fluoropent-3-enyl)phenyl]benzene is sourced from PubChem (CID 118320446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).