[3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol

C9H13F2NO2 — CID 173058017

IUPAC[3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol
SMILESOCC1NC=CC=C1OC(CF)CF
InChIInChI=1S/C9H13F2NO2/c10-4-7(5-11)14-9-2-1-3-12-8(9)6-13/h1-3,7-8,12-13H,4-6H2
InChIKeyQNMOMVVYGLLHGC-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.67
Rot. Bonds5

About [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol

[3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol (PubChem CID 173058017) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol
PubChem CID173058017
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name[3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol
SMILESOCC1NC=CC=C1OC(CF)CF
InChIInChI=1S/C9H13F2NO2/c10-4-7(5-11)14-9-2-1-3-12-8(9)6-13/h1-3,7-8,12-13H,4-6H2
InChIKeyQNMOMVVYGLLHGC-UHFFFAOYSA-N
XLogP0.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol?
The IUPAC name of [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol (CID 173058017) is [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol.
What is the SMILES notation for [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol?
The canonical SMILES for [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol is OCC1NC=CC=C1OC(CF)CF.
What is the InChIKey of [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol?
The InChIKey is QNMOMVVYGLLHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-4-7(5-11)14-9-2-1-3-12-8(9)6-13/h1-3,7-8,12-13H,4-6H2.
What are the key properties of [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol?
[3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol has a molecular weight of 205.20 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-difluoropropan-2-yloxy)-1,2-dihydropyridin-2-yl]methanol is sourced from PubChem (CID 173058017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).