2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene

C22H19F3O — CID 139863148

IUPAC2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
SMILESCCOc1ccc2cc(C(F)=C(F)c3ccc(CC)cc3)ccc2c1F
InChIInChI=1S/C22H19F3O/c1-3-14-5-7-15(8-6-14)20(23)21(24)17-9-11-18-16(13-17)10-12-19(22(18)25)26-4-2/h5-13H,3-4H2,1-2H3
InChIKeyOKDPKKUWBRESCJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP6.70
Rot. Bonds5

About 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene

2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene (PubChem CID 139863148) has the molecular formula C22H19F3O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
PubChem CID139863148
Molecular FormulaC22H19F3O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
SMILESCCOc1ccc2cc(C(F)=C(F)c3ccc(CC)cc3)ccc2c1F
InChIInChI=1S/C22H19F3O/c1-3-14-5-7-15(8-6-14)20(23)21(24)17-9-11-18-16(13-17)10-12-19(22(18)25)26-4-2/h5-13H,3-4H2,1-2H3
InChIKeyOKDPKKUWBRESCJ-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

6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene
CID 139862919
2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
CID 139864021
2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862619
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552
2-[1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-6-ethoxy-1-fluoronaphthalene
CID 139863205
(4-ethoxy-2-fluorophenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854348
3-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 139862957
7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene
CID 139862507
5-(6-carbonochloridoyl-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carbonyl chloride
CID 101085823
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
5-(6-carboxy-2-ethoxynaphthalen-1-yl)-6-ethoxynaphthalene-2-carboxylic acid
CID 162348534
(2-fluoro-4-propylphenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854655

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The IUPAC name of 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene (CID 139863148) is 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The canonical SMILES for 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene is CCOc1ccc2cc(C(F)=C(F)c3ccc(CC)cc3)ccc2c1F.
What is the InChIKey of 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The InChIKey is OKDPKKUWBRESCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3O/c1-3-14-5-7-15(8-6-14)20(23)21(24)17-9-11-18-16(13-17)10-12-19(22(18)25)26-4-2/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-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-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139863148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).