1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol

C24H24F4O2 — CID 10287863

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol (PubChem CID 10287863) has the molecular formula C24H24F4O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol
• PubChem CID: 10287863
• Molecular Formula: C24H24F4O2
• Molecular Weight: 420.45 g/mol
• Exact Mass: 420.17
• IUPAC Name: 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol
• SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc2ccccc12)C(F)(F)F
• InChI: InChI=1S/C24H24F4O2/c1-22(2,20-13-18(25)11-12-21(20)30-3)15-23(29,24(26,27)28)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-13,29H,14-15H2,1-3H3
• InChIKey: YTDDWWZHOSEAOO-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.45
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol?

The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol (CID 10287863) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc2ccccc12)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol?

The InChIKey is YTDDWWZHOSEAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4O2/c1-22(2,20-13-18(25)11-12-21(20)30-3)15-23(29,24(26,27)28)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-13,29H,14-15H2,1-3H3.

What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol?

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol has a molecular weight of 420.45 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-1-ylmethyl)pentan-2-ol is sourced from PubChem (CID 10287863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).