1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol

C21H24F4O2 — CID 10126475

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1C)C(F)(F)F
InChIInChI=1S/C21H24F4O2/c1-14-7-5-6-8-15(14)12-20(26,21(23,24)25)13-19(2,3)17-11-16(22)9-10-18(17)27-4/h5-11,26H,12-13H2,1-4H3
InChIKeyZEBDSSZIANSDED-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.35
Rot. Bonds6

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol (PubChem CID 10126475) has the molecular formula C21H24F4O2 and a molecular weight of 384.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol
PubChem CID10126475
Molecular FormulaC21H24F4O2
Molecular Weight384.41 g/mol
Exact Mass384.17
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1C)C(F)(F)F
InChIInChI=1S/C21H24F4O2/c1-14-7-5-6-8-15(14)12-20(26,21(23,24)25)13-19(2,3)17-11-16(22)9-10-18(17)27-4/h5-11,26H,12-13H2,1-4H3
InChIKeyZEBDSSZIANSDED-UHFFFAOYSA-N
XLogP5.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.35
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-[(2-methylphenyl)methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol (CID 10126475) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol?
The InChIKey is ZEBDSSZIANSDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4O2/c1-14-7-5-6-8-15(14)12-20(26,21(23,24)25)13-19(2,3)17-11-16(22)9-10-18(17)27-4/h5-11,26H,12-13H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2-methylphenyl)methyl]pentan-2-ol has a molecular weight of 384.41 g/mol, XLogP of 5.35, 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-[(2-methylphenyl)methyl]pentan-2-ol is sourced from PubChem (CID 10126475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).