2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene

C30H34F4O2 — CID 139871434

About 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene

2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139871434) has the molecular formula C30H34F4O2 and a molecular weight of 502.59 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

• Compound Name: 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene
• PubChem CID: 139871434
• Molecular Formula: C30H34F4O2
• Molecular Weight: 502.59 g/mol
• Exact Mass: 502.25
• IUPAC Name: 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene
• SMILES: COCCC1CCC(CCc2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)CC1
• InChI: InChI=1S/C30H34F4O2/c1-35-17-16-21-4-2-20(3-5-21)6-7-22-9-14-26-25(18-22)13-12-24(29(26)32)11-8-23-10-15-28(27(31)19-23)36-30(33)34/h9-10,12-15,18-21,30H,2-8,11,16-17H2,1H3
• InChIKey: MGBAYQXYTVWBGI-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.59
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene?

The IUPAC name of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene (CID 139871434) is 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene.

What is the SMILES notation for 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene?

The canonical SMILES for 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene is COCCC1CCC(CCc2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)CC1.

What is the InChIKey of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene?

The InChIKey is MGBAYQXYTVWBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F4O2/c1-35-17-16-21-4-2-20(3-5-21)6-7-22-9-14-26-25(18-22)13-12-24(29(26)32)11-8-23-10-15-28(27(31)19-23)36-30(33)34/h9-10,12-15,18-21,30H,2-8,11,16-17H2,1H3.

What are the key properties of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene?

2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 502.59 g/mol, XLogP of 8.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139871434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).