1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol

C11H11F6NO2 — CID 88561399

IUPAC1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol
SMILESCCCOc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C11H11F6NO2/c1-2-5-20-8-4-3-7(6-18-8)9(19,10(12,13)14)11(15,16)17/h3-4,6,19H,2,5H2,1H3
InChIKeyPZDRLFQGIZXSIS-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.18
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol (PubChem CID 88561399) has the molecular formula C11H11F6NO2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol
PubChem CID88561399
Molecular FormulaC11H11F6NO2
Molecular Weight303.20 g/mol
Exact Mass303.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol
SMILESCCCOc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C11H11F6NO2/c1-2-5-20-8-4-3-7(6-18-8)9(19,10(12,13)14)11(15,16)17/h3-4,6,19H,2,5H2,1H3
InChIKeyPZDRLFQGIZXSIS-UHFFFAOYSA-N
XLogP3.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol (CID 88561399) is 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol is CCCOc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cn1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol?
The InChIKey is PZDRLFQGIZXSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO2/c1-2-5-20-8-4-3-7(6-18-8)9(19,10(12,13)14)11(15,16)17/h3-4,6,19H,2,5H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol has a molecular weight of 303.20 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(6-propoxy-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 88561399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).