3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene

C21H19F3O2 — CID 139862827

IUPAC3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene
SMILESCCOc1ccc2c(F)c(-c3ccc(CC)cc3)c(OC(F)F)cc2c1
InChIInChI=1S/C21H19F3O2/c1-3-13-5-7-14(8-6-13)19-18(26-21(23)24)12-15-11-16(25-4-2)9-10-17(15)20(19)22/h5-12,21H,3-4H2,1-2H3
InChIKeyLWXZMAJVYUETQI-UHFFFAOYSA-N
MW360.38 g/mol
LogP6.21
Rot. Bonds6

About 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene

3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene (PubChem CID 139862827) has the molecular formula C21H19F3O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene
PubChem CID139862827
Molecular FormulaC21H19F3O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene
SMILESCCOc1ccc2c(F)c(-c3ccc(CC)cc3)c(OC(F)F)cc2c1
InChIInChI=1S/C21H19F3O2/c1-3-13-5-7-14(8-6-13)19-18(26-21(23)24)12-15-11-16(25-4-2)9-10-17(15)20(19)22/h5-12,21H,3-4H2,1-2H3
InChIKeyLWXZMAJVYUETQI-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene 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)-2-(4-ethoxyphenyl)-1-fluoro-6-pentylnaphthalene
CID 139862639
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
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
CID 139863755
3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
CID 139861326
2-but-2-enoxy-3-(difluoromethoxy)-6-(4-ethylphenyl)-1-fluoronaphthalene
CID 139861606
7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139863236
2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139860531
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
CID 139861394

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene?
The IUPAC name of 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene (CID 139862827) is 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene.
What is the SMILES notation for 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene?
The canonical SMILES for 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene is CCOc1ccc2c(F)c(-c3ccc(CC)cc3)c(OC(F)F)cc2c1.
What is the InChIKey of 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene?
The InChIKey is LWXZMAJVYUETQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3O2/c1-3-13-5-7-14(8-6-13)19-18(26-21(23)24)12-15-11-16(25-4-2)9-10-17(15)20(19)22/h5-12,21H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene?
3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene has a molecular weight of 360.38 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene is sourced from PubChem (CID 139862827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).