2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene

C28H25F3O2 — CID 139874733

IUPAC2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
SMILESCOCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)F)cc4)ccc3c2)cc1
InChIInChI=1S/C28H25F3O2/c1-32-17-16-20-2-7-21(8-3-20)23-12-15-26-24(18-23)11-10-22(27(26)29)9-4-19-5-13-25(14-6-19)33-28(30)31/h2-3,5-8,10-15,18,28H,4,9,16-17H2,1H3
InChIKeyVEDICGXZTMTBRN-UHFFFAOYSA-N
MW450.50 g/mol
LogP7.22
Rot. Bonds9

About 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene (PubChem CID 139874733) has the molecular formula C28H25F3O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
PubChem CID139874733
Molecular FormulaC28H25F3O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
SMILESCOCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)F)cc4)ccc3c2)cc1
InChIInChI=1S/C28H25F3O2/c1-32-17-16-20-2-7-21(8-3-20)23-12-15-26-24(18-23)11-10-22(27(26)29)9-4-19-5-13-25(14-6-19)33-28(30)31/h2-3,5-8,10-15,18,28H,4,9,16-17H2,1H3
InChIKeyVEDICGXZTMTBRN-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]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

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
CID 139871216
6-(2,6-difluoro-4-heptylphenyl)-2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139873860
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[4-(3-methoxypropyl)cyclohexyl]ethyl]naphthalene
CID 139875551
6-[2,6-difluoro-4-(2-methoxyethyl)phenyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139875685
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139874566
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-hexoxyphenyl)naphthalene
CID 139872286
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(3-methoxypropyl)phenyl]ethyl]naphthalene
CID 139870781
1-fluoro-6-[2-fluoro-4-(2-methoxyethyl)phenyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875040
1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139871177
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
CID 139875034
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875417
6-[2-(4-butoxyphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoronaphthalene
CID 139873719

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene (CID 139874733) is 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene is COCCc1ccc(-c2ccc3c(F)c(CCc4ccc(OC(F)F)cc4)ccc3c2)cc1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene?
The InChIKey is VEDICGXZTMTBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3O2/c1-32-17-16-20-2-7-21(8-3-20)23-12-15-26-24(18-23)11-10-22(27(26)29)9-4-19-5-13-25(14-6-19)33-28(30)31/h2-3,5-8,10-15,18,28H,4,9,16-17H2,1H3.
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene?
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene has a molecular weight of 450.50 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene is sourced from PubChem (CID 139874733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).