3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene

C23H19F3O2 — CID 139861326

IUPAC3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
SMILESC=CCOc1ccc(-c2c(OC(F)F)cc3cc(/C=C/C)ccc3c2F)cc1
InChIInChI=1S/C23H19F3O2/c1-3-5-15-6-11-19-17(13-15)14-20(28-23(25)26)21(22(19)24)16-7-9-18(10-8-16)27-12-4-2/h3-11,13-14,23H,2,12H2,1H3/b5-3+
InChIKeyCEISMQXDVIHCHT-HWKANZROSA-N
MW384.40 g/mol
LogP6.85
Rot. Bonds7

About 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene

3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene (PubChem CID 139861326) has the molecular formula C23H19F3O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
PubChem CID139861326
Molecular FormulaC23H19F3O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
SMILESC=CCOc1ccc(-c2c(OC(F)F)cc3cc(/C=C/C)ccc3c2F)cc1
InChIInChI=1S/C23H19F3O2/c1-3-5-15-6-11-19-17(13-15)14-20(28-23(25)26)21(22(19)24)16-7-9-18(10-8-16)27-12-4-2/h3-11,13-14,23H,2,12H2,1H3/b5-3+
InChIKeyCEISMQXDVIHCHT-HWKANZROSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene 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

3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
CID 139863838
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
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-methoxynaphthalene
CID 139863466
3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene
CID 139862827
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
CID 139863755
6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
CID 139861394
3-(difluoromethoxy)-2-(4-ethoxyphenyl)-1-fluoro-6-pentylnaphthalene
CID 139862639
[6-(difluoromethoxy)-5,7-difluoronaphthalen-2-yl] 4-prop-2-enoxybenzoate
CID 139855341
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-(difluoromethoxy)-6-(2,6-difluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139855297

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene?
The IUPAC name of 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene (CID 139861326) is 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene.
What is the SMILES notation for 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene?
The canonical SMILES for 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene is C=CCOc1ccc(-c2c(OC(F)F)cc3cc(/C=C/C)ccc3c2F)cc1.
What is the InChIKey of 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene?
The InChIKey is CEISMQXDVIHCHT-HWKANZROSA-N. The full InChI is InChI=1S/C23H19F3O2/c1-3-5-15-6-11-19-17(13-15)14-20(28-23(25)26)21(22(19)24)16-7-9-18(10-8-16)27-12-4-2/h3-11,13-14,23H,2,12H2,1H3/b5-3+.
What are the key properties of 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene?
3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene has a molecular weight of 384.40 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene is sourced from PubChem (CID 139861326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).