1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol

C18H20F3NO — CID 10149792

IUPAC1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol
SMILESCC(C)(CC(O)(Cc1ccccn1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H20F3NO/c1-16(2,14-8-4-3-5-9-14)13-17(23,18(19,20)21)12-15-10-6-7-11-22-15/h3-11,23H,12-13H2,1-2H3
InChIKeyHHEGQKQPIMPWII-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.29
Rot. Bonds5

About 1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol

1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol (PubChem CID 10149792) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol
PubChem CID10149792
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol
SMILESCC(C)(CC(O)(Cc1ccccn1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H20F3NO/c1-16(2,14-8-4-3-5-9-14)13-17(23,18(19,20)21)12-15-10-6-7-11-22-15/h3-11,23H,12-13H2,1-2H3
InChIKeyHHEGQKQPIMPWII-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.29
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-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol (CID 10149792) is 1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol is CC(C)(CC(O)(Cc1ccccn1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol?
The InChIKey is HHEGQKQPIMPWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-16(2,14-8-4-3-5-9-14)13-17(23,18(19,20)21)12-15-10-6-7-11-22-15/h3-11,23H,12-13H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol?
1,1,1-trifluoro-4-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol has a molecular weight of 323.36 g/mol, XLogP of 4.29, 5 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-methyl-4-phenyl-2-(pyridin-2-ylmethyl)pentan-2-ol is sourced from PubChem (CID 10149792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).