6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene

C23H19F3O — CID 139862919

IUPAC6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C(F)=C(F)c3ccc(CC)cc3)ccc2c1F
InChIInChI=1S/C23H19F3O/c1-3-13-27-20-12-10-17-14-18(9-11-19(17)23(20)26)22(25)21(24)16-7-5-15(4-2)6-8-16/h3,5-12,14H,1,4,13H2,2H3
InChIKeyHRLBFYXMRMQNHN-UHFFFAOYSA-N
MW368.40 g/mol
LogP6.87
Rot. Bonds6

About 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene

6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene (PubChem CID 139862919) has the molecular formula C23H19F3O and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene
PubChem CID139862919
Molecular FormulaC23H19F3O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C(F)=C(F)c3ccc(CC)cc3)ccc2c1F
InChIInChI=1S/C23H19F3O/c1-3-13-27-20-12-10-17-14-18(9-11-19(17)23(20)26)22(25)21(24)16-7-5-15(4-2)6-8-16/h3,5-12,14H,1,4,13H2,2H3
InChIKeyHRLBFYXMRMQNHN-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139863148
2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862619
2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
CID 139864021
(2-fluoro-4-prop-2-enoxyphenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854167
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513
2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene
CID 139863491
3-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 139862957
2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene
CID 139863269
6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
CID 139862628
1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
CID 139862174
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene
CID 22384766

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene?
The IUPAC name of 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene (CID 139862919) is 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene.
What is the SMILES notation for 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene?
The canonical SMILES for 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(C(F)=C(F)c3ccc(CC)cc3)ccc2c1F.
What is the InChIKey of 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene?
The InChIKey is HRLBFYXMRMQNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O/c1-3-13-27-20-12-10-17-14-18(9-11-19(17)23(20)26)22(25)21(24)16-7-5-15(4-2)6-8-16/h3,5-12,14H,1,4,13H2,2H3.
What are the key properties of 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene?
6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene has a molecular weight of 368.40 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene is sourced from PubChem (CID 139862919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).