1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol

C20H23F4NO2 — CID 10126489

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)n1)C(F)(F)F
InChIInChI=1S/C20H23F4NO2/c1-13-6-5-7-15(25-13)11-19(26,20(22,23)24)12-18(2,3)16-10-14(21)8-9-17(16)27-4/h5-10,26H,11-12H2,1-4H3
InChIKeyMSZOIWWALFRMNA-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.74
Rot. Bonds6

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol (PubChem CID 10126489) has the molecular formula C20H23F4NO2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol
PubChem CID10126489
Molecular FormulaC20H23F4NO2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)n1)C(F)(F)F
InChIInChI=1S/C20H23F4NO2/c1-13-6-5-7-15(25-13)11-19(26,20(22,23)24)12-18(2,3)16-10-14(21)8-9-17(16)27-4/h5-10,26H,11-12H2,1-4H3
InChIKeyMSZOIWWALFRMNA-UHFFFAOYSA-N
XLogP4.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol (CID 10126489) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol?
The InChIKey is MSZOIWWALFRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4NO2/c1-13-6-5-7-15(25-13)11-19(26,20(22,23)24)12-18(2,3)16-10-14(21)8-9-17(16)27-4/h5-10,26H,11-12H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol has a molecular weight of 385.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(6-methyl-2-pyridinyl)methyl]pentan-2-ol is sourced from PubChem (CID 10126489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).