[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol

C10H9F6NO2 — CID 102722592

IUPAC[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H9F6NO2/c1-5-2-6(4-18)3-7(17-5)19-8(9(11,12)13)10(14,15)16/h2-3,8,18H,4H2,1H3
InChIKeyJONCMCMETRFCTK-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.75
Rot. Bonds3

About [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol

[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol (PubChem CID 102722592) has the molecular formula C10H9F6NO2 and a molecular weight of 289.18 g/mol. Its IUPAC name is [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol
PubChem CID102722592
Molecular FormulaC10H9F6NO2
Molecular Weight289.18 g/mol
Exact Mass289.05
IUPAC Name[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H9F6NO2/c1-5-2-6(4-18)3-7(17-5)19-8(9(11,12)13)10(14,15)16/h2-3,8,18H,4H2,1H3
InChIKeyJONCMCMETRFCTK-UHFFFAOYSA-N
XLogP2.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol?
The IUPAC name of [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol (CID 102722592) is [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol?
The canonical SMILES for [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol is Cc1cc(CO)cc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol?
The InChIKey is JONCMCMETRFCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO2/c1-5-2-6(4-18)3-7(17-5)19-8(9(11,12)13)10(14,15)16/h2-3,8,18H,4H2,1H3.
What are the key properties of [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol?
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol has a molecular weight of 289.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 102722592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).