3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene

C22H19F3O2 — CID 139863838

IUPAC3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
SMILESC=CCOc1ccc(-c2c(OC(F)F)cc3cc(CC)ccc3c2F)cc1
InChIInChI=1S/C22H19F3O2/c1-3-11-26-17-8-6-15(7-9-17)20-19(27-22(24)25)13-16-12-14(4-2)5-10-18(16)21(20)23/h3,5-10,12-13,22H,1,4,11H2,2H3
InChIKeyVKAFZPADEMPJCR-UHFFFAOYSA-N
MW372.39 g/mol
LogP6.37
Rot. Bonds7

About 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene

3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene (PubChem CID 139863838) has the molecular formula C22H19F3O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
PubChem CID139863838
Molecular FormulaC22H19F3O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
SMILESC=CCOc1ccc(-c2c(OC(F)F)cc3cc(CC)ccc3c2F)cc1
InChIInChI=1S/C22H19F3O2/c1-3-11-26-17-8-6-15(7-9-17)20-19(27-22(24)25)13-16-12-14(4-2)5-10-18(16)21(20)23/h3,5-10,12-13,22H,1,4,11H2,2H3
InChIKeyVKAFZPADEMPJCR-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
CID 139861326
3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene
CID 139862827
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
CID 139863755
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-methoxynaphthalene
CID 139863466
3-(difluoromethoxy)-2-(4-ethoxyphenyl)-1-fluoro-6-pentylnaphthalene
CID 139862639
3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene
CID 139860896
6-but-2-enoxy-3-(difluoromethoxy)-1-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139863150
6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
CID 139861394
2-but-2-enoxy-3-(difluoromethoxy)-6-(4-ethylphenyl)-1-fluoronaphthalene
CID 139861606
2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139860531
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-prop-2-enoxyphenyl)ethyl]naphthalene
CID 139872621
[6-(difluoromethoxy)-5,7-difluoronaphthalen-2-yl] 4-prop-2-enoxybenzoate
CID 139855341

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene?
The IUPAC name of 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene (CID 139863838) is 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene.
What is the SMILES notation for 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene?
The canonical SMILES for 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene is C=CCOc1ccc(-c2c(OC(F)F)cc3cc(CC)ccc3c2F)cc1.
What is the InChIKey of 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene?
The InChIKey is VKAFZPADEMPJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3O2/c1-3-11-26-17-8-6-15(7-9-17)20-19(27-22(24)25)13-16-12-14(4-2)5-10-18(16)21(20)23/h3,5-10,12-13,22H,1,4,11H2,2H3.
What are the key properties of 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene?
3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene has a molecular weight of 372.39 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene is sourced from PubChem (CID 139863838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).