[4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol

C11H14F3NO2 — CID 82956510

IUPAC[4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(OCCC(F)(F)F)n1
InChIInChI=1S/C11H14F3NO2/c1-7-5-8(2)15-10(9(7)6-16)17-4-3-11(12,13)14/h5,16H,3-4,6H2,1-2H3
InChIKeyVQIDEONKIFUOJS-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.52
Rot. Bonds4

About [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol

[4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol (PubChem CID 82956510) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol
PubChem CID82956510
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name[4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(OCCC(F)(F)F)n1
InChIInChI=1S/C11H14F3NO2/c1-7-5-8(2)15-10(9(7)6-16)17-4-3-11(12,13)14/h5,16H,3-4,6H2,1-2H3
InChIKeyVQIDEONKIFUOJS-UHFFFAOYSA-N
XLogP2.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol?
The IUPAC name of [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol (CID 82956510) is [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(OCCC(F)(F)F)n1.
What is the InChIKey of [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol?
The InChIKey is VQIDEONKIFUOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7-5-8(2)15-10(9(7)6-16)17-4-3-11(12,13)14/h5,16H,3-4,6H2,1-2H3.
What are the key properties of [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol?
[4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol has a molecular weight of 249.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 82956510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).