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

C24H24F4O2 — CID 10194607

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C24H24F4O2/c1-22(2,20-13-19(25)10-11-21(20)30-3)15-23(29,24(26,27)28)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-13,29H,14-15H2,1-3H3
InChIKeyMHSIIOXPCQMXQE-UHFFFAOYSA-N
MW420.45 g/mol
LogP6.19
Rot. Bonds6

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

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol (PubChem CID 10194607) 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-2-ylmethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol
PubChem CID10194607
Molecular FormulaC24H24F4O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C24H24F4O2/c1-22(2,20-13-19(25)10-11-21(20)30-3)15-23(29,24(26,27)28)14-16-8-9-17-6-4-5-7-18(17)12-16/h4-13,29H,14-15H2,1-3H3
InChIKeyMHSIIOXPCQMXQE-UHFFFAOYSA-N
XLogP6.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol (CID 10194607) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-ylmethyl)pentan-2-ol?
The InChIKey is MHSIIOXPCQMXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4O2/c1-22(2,20-13-19(25)10-11-21(20)30-3)15-23(29,24(26,27)28)14-16-8-9-17-6-4-5-7-18(17)12-16/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-2-ylmethyl)pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(naphthalen-2-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-2-ylmethyl)pentan-2-ol is sourced from PubChem (CID 10194607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).