1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol

C16H17F2NO — CID 114347015

IUPAC1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(Cc1ccc(F)cc1C)c1ccc(F)cn1
InChIInChI=1S/C16H17F2NO/c1-3-16(20,15-7-6-14(18)10-19-15)9-12-4-5-13(17)8-11(12)2/h4-8,10,20H,3,9H2,1-2H3
InChIKeyNEDMLTORLYNURP-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol

1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol (PubChem CID 114347015) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
PubChem CID114347015
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(Cc1ccc(F)cc1C)c1ccc(F)cn1
InChIInChI=1S/C16H17F2NO/c1-3-16(20,15-7-6-14(18)10-19-15)9-12-4-5-13(17)8-11(12)2/h4-8,10,20H,3,9H2,1-2H3
InChIKeyNEDMLTORLYNURP-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol (CID 114347015) is 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol is CCC(O)(Cc1ccc(F)cc1C)c1ccc(F)cn1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The InChIKey is NEDMLTORLYNURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-16(20,15-7-6-14(18)10-19-15)9-12-4-5-13(17)8-11(12)2/h4-8,10,20H,3,9H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol has a molecular weight of 277.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 114347015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).