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

C9H7F6NO2 — CID 166610494

IUPAC1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol
SMILESCOc1cccc(C(O)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H7F6NO2/c1-18-6-4-2-3-5(16-6)7(17,8(10,11)12)9(13,14)15/h2-4,17H,1H3
InChIKeyIPOCSZZYMXEHFI-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.40
Rot. Bonds2

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

1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol (PubChem CID 166610494) has the molecular formula C9H7F6NO2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol
PubChem CID166610494
Molecular FormulaC9H7F6NO2
Molecular Weight275.15 g/mol
Exact Mass275.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol
SMILESCOc1cccc(C(O)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H7F6NO2/c1-18-6-4-2-3-5(16-6)7(17,8(10,11)12)9(13,14)15/h2-4,17H,1H3
InChIKeyIPOCSZZYMXEHFI-UHFFFAOYSA-N
XLogP2.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.40
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-methoxy-2-pyridinyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol (CID 166610494) is 1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol is COc1cccc(C(O)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol?
The InChIKey is IPOCSZZYMXEHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO2/c1-18-6-4-2-3-5(16-6)7(17,8(10,11)12)9(13,14)15/h2-4,17H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(6-methoxy-2-pyridinyl)propan-2-ol has a molecular weight of 275.15 g/mol, XLogP of 2.40, 2 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-methoxy-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 166610494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).