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

C28H30F4O2 — CID 139873212

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

2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene (PubChem CID 139873212) has the molecular formula C28H30F4O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene.

Molecular Properties

• Compound Name: 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene
• PubChem CID: 139873212
• Molecular Formula: C28H30F4O2
• Molecular Weight: 474.54 g/mol
• Exact Mass: 474.22
• IUPAC Name: 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene
• SMILES: COCCC1CCC(c2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)CC1
• InChI: InChI=1S/C28H30F4O2/c1-33-15-14-18-2-6-20(7-3-18)22-11-12-24-23(17-22)10-9-21(27(24)30)8-4-19-5-13-26(25(29)16-19)34-28(31)32/h5,9-13,16-18,20,28H,2-4,6-8,14-15H2,1H3
• InChIKey: PTIMUGDHMODSMT-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.54
LogP ≤ 5	7.81
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-[4-(2-methoxyethyl)cyclohexyl]naphthalene?

The IUPAC name of 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene (CID 139873212) is 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene.

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

The canonical SMILES for 2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene is COCCC1CCC(c2ccc3c(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-[4-(2-methoxyethyl)cyclohexyl]naphthalene?

The InChIKey is PTIMUGDHMODSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F4O2/c1-33-15-14-18-2-6-20(7-3-18)22-11-12-24-23(17-22)10-9-21(27(24)30)8-4-19-5-13-26(25(29)16-19)34-28(31)32/h5,9-13,16-18,20,28H,2-4,6-8,14-15H2,1H3.

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

2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene has a molecular weight of 474.54 g/mol, XLogP of 7.81, 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)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene is sourced from PubChem (CID 139873212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).