2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene

C22H19F3O — CID 139864021

IUPAC2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
SMILESCCOc1ccc(C(F)=C(F)c2ccc3cc(CC)ccc3c2F)cc1
InChIInChI=1S/C22H19F3O/c1-3-14-5-11-18-16(13-14)8-12-19(21(18)24)22(25)20(23)15-6-9-17(10-7-15)26-4-2/h5-13H,3-4H2,1-2H3
InChIKeyFHZNIVYLAJBOMG-UHFFFAOYSA-N
MW356.39 g/mol
LogP6.70
Rot. Bonds5

About 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene

2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene (PubChem CID 139864021) has the molecular formula C22H19F3O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
PubChem CID139864021
Molecular FormulaC22H19F3O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
SMILESCCOc1ccc(C(F)=C(F)c2ccc3cc(CC)ccc3c2F)cc1
InChIInChI=1S/C22H19F3O/c1-3-14-5-11-18-16(13-14)8-12-19(21(18)24)22(25)20(23)15-6-9-17(10-7-15)26-4-2/h5-13H,3-4H2,1-2H3
InChIKeyFHZNIVYLAJBOMG-UHFFFAOYSA-N
XLogP6.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.39
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-6-ethoxy-1-fluoronaphthalene
CID 139863205
2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139863148
2-[2-(4-but-2-enoxyphenyl)-1,2-difluoroethenyl]-1-fluoro-6-pentylnaphthalene
CID 139864068
6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
CID 139862628
6-ethyl-2-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862753
7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene
CID 139862507
6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene
CID 139862919
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-ethoxy-2-fluorobenzene
CID 139790681
(4-ethoxy-2-fluorophenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854348
2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene
CID 139870838
7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139863236
2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861883

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene (CID 139864021) is 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene is CCOc1ccc(C(F)=C(F)c2ccc3cc(CC)ccc3c2F)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene?
The InChIKey is FHZNIVYLAJBOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3O/c1-3-14-5-11-18-16(13-14)8-12-19(21(18)24)22(25)20(23)15-6-9-17(10-7-15)26-4-2/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene?
2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene has a molecular weight of 356.39 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene is sourced from PubChem (CID 139864021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).