2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol

C20H24F3NO — CID 10193621

IUPAC2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
SMILESCc1cc(C)nc(CC(O)(CC(C)(C)c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C20H24F3NO/c1-14-10-15(2)24-17(11-14)12-19(25,20(21,22)23)13-18(3,4)16-8-6-5-7-9-16/h5-11,25H,12-13H2,1-4H3
InChIKeyNLXARDIONINMQW-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.90
Rot. Bonds5

About 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol

2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol (PubChem CID 10193621) has the molecular formula C20H24F3NO and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
PubChem CID10193621
Molecular FormulaC20H24F3NO
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
SMILESCc1cc(C)nc(CC(O)(CC(C)(C)c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C20H24F3NO/c1-14-10-15(2)24-17(11-14)12-19(25,20(21,22)23)13-18(3,4)16-8-6-5-7-9-16/h5-11,25H,12-13H2,1-4H3
InChIKeyNLXARDIONINMQW-UHFFFAOYSA-N
XLogP4.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol (CID 10193621) is 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol is Cc1cc(C)nc(CC(O)(CC(C)(C)c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The InChIKey is NLXARDIONINMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO/c1-14-10-15(2)24-17(11-14)12-19(25,20(21,22)23)13-18(3,4)16-8-6-5-7-9-16/h5-11,25H,12-13H2,1-4H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol has a molecular weight of 351.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)methyl]-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol is sourced from PubChem (CID 10193621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).