2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol

C11H15F3N2O — CID 142494339

IUPAC2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol
SMILESCC(O)(c1ccc(N)nc1)C(CF)(CF)CF
InChIInChI=1S/C11H15F3N2O/c1-10(17,11(5-12,6-13)7-14)8-2-3-9(15)16-4-8/h2-4,17H,5-7H2,1H3,(H2,15,16)
InChIKeyKDZCFIYBQMUYLQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.77
Rot. Bonds5

About 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol

2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol (PubChem CID 142494339) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol
PubChem CID142494339
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol
SMILESCC(O)(c1ccc(N)nc1)C(CF)(CF)CF
InChIInChI=1S/C11H15F3N2O/c1-10(17,11(5-12,6-13)7-14)8-2-3-9(15)16-4-8/h2-4,17H,5-7H2,1H3,(H2,15,16)
InChIKeyKDZCFIYBQMUYLQ-UHFFFAOYSA-N
XLogP1.77
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol?
The IUPAC name of 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol (CID 142494339) is 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol is CC(O)(c1ccc(N)nc1)C(CF)(CF)CF.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol?
The InChIKey is KDZCFIYBQMUYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-10(17,11(5-12,6-13)7-14)8-2-3-9(15)16-4-8/h2-4,17H,5-7H2,1H3,(H2,15,16).
What are the key properties of 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol?
2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol has a molecular weight of 248.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-4-fluoro-3,3-bis(fluoromethyl)butan-2-ol is sourced from PubChem (CID 142494339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).