3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol

C14H11F12NO2 — CID 24844547

IUPAC3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol
SMILESCc1cc(C(CO)(C(F)(F)F)C(F)(F)F)cc(C(CO)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H11F12NO2/c1-6-2-7(9(4-28,11(15,16)17)12(18,19)20)3-8(27-6)10(5-29,13(21,22)23)14(24,25)26/h2-3,28-29H,4-5H2,1H3
InChIKeyULLWQEFUQHHPGB-UHFFFAOYSA-N
MW453.22 g/mol
LogP4.10
Rot. Bonds4

About 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol

3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol (PubChem CID 24844547) has the molecular formula C14H11F12NO2 and a molecular weight of 453.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol
PubChem CID24844547
Molecular FormulaC14H11F12NO2
Molecular Weight453.22 g/mol
Exact Mass453.06
IUPAC Name3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol
SMILESCc1cc(C(CO)(C(F)(F)F)C(F)(F)F)cc(C(CO)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C14H11F12NO2/c1-6-2-7(9(4-28,11(15,16)17)12(18,19)20)3-8(27-6)10(5-29,13(21,22)23)14(24,25)26/h2-3,28-29H,4-5H2,1H3
InChIKeyULLWQEFUQHHPGB-UHFFFAOYSA-N
XLogP4.10
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.22
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-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 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol (CID 24844547) is 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol is Cc1cc(C(CO)(C(F)(F)F)C(F)(F)F)cc(C(CO)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol?
The InChIKey is ULLWQEFUQHHPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F12NO2/c1-6-2-7(9(4-28,11(15,16)17)12(18,19)20)3-8(27-6)10(5-29,13(21,22)23)14(24,25)26/h2-3,28-29H,4-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol?
3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol has a molecular weight of 453.22 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[2-[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-6-methyl-4-pyridinyl]-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 24844547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).