1-fluoro-3-pyridin-2-ylpropan-2-ol

C8H10FNO — CID 142645414

IUPAC1-fluoro-3-pyridin-2-ylpropan-2-ol
SMILESOC(CF)Cc1ccccn1
InChIInChI=1S/C8H10FNO/c9-6-8(11)5-7-3-1-2-4-10-7/h1-4,8,11H,5-6H2
InChIKeyGOFKESHEQKUDGB-UHFFFAOYSA-N
MW155.17 g/mol
LogP0.95
Rot. Bonds3

About 1-fluoro-3-pyridin-2-ylpropan-2-ol

1-fluoro-3-pyridin-2-ylpropan-2-ol (PubChem CID 142645414) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 1-fluoro-3-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-pyridin-2-ylpropan-2-ol
PubChem CID142645414
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name1-fluoro-3-pyridin-2-ylpropan-2-ol
SMILESOC(CF)Cc1ccccn1
InChIInChI=1S/C8H10FNO/c9-6-8(11)5-7-3-1-2-4-10-7/h1-4,8,11H,5-6H2
InChIKeyGOFKESHEQKUDGB-UHFFFAOYSA-N
XLogP0.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-pyridin-2-ylpropan-2-ol?
The IUPAC name of 1-fluoro-3-pyridin-2-ylpropan-2-ol (CID 142645414) is 1-fluoro-3-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 1-fluoro-3-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 1-fluoro-3-pyridin-2-ylpropan-2-ol is OC(CF)Cc1ccccn1.
What is the InChIKey of 1-fluoro-3-pyridin-2-ylpropan-2-ol?
The InChIKey is GOFKESHEQKUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-6-8(11)5-7-3-1-2-4-10-7/h1-4,8,11H,5-6H2.
What are the key properties of 1-fluoro-3-pyridin-2-ylpropan-2-ol?
1-fluoro-3-pyridin-2-ylpropan-2-ol has a molecular weight of 155.17 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 142645414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).