[6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol

C9H8F3NO3 — CID 66718751

IUPAC[6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol
SMILESOCC1COc2nc(C(F)(F)F)ccc2O1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)7-2-1-6-8(13-7)15-4-5(3-14)16-6/h1-2,5,14H,3-4H2
InChIKeyZERPJNXBICGIFU-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.23
Rot. Bonds1

About [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol

[6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol (PubChem CID 66718751) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol
PubChem CID66718751
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name[6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol
SMILESOCC1COc2nc(C(F)(F)F)ccc2O1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)7-2-1-6-8(13-7)15-4-5(3-14)16-6/h1-2,5,14H,3-4H2
InChIKeyZERPJNXBICGIFU-UHFFFAOYSA-N
XLogP1.23
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol (CID 66718751) is [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol is OCC1COc2nc(C(F)(F)F)ccc2O1.
What is the InChIKey of [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol?
The InChIKey is ZERPJNXBICGIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)7-2-1-6-8(13-7)15-4-5(3-14)16-6/h1-2,5,14H,3-4H2.
What are the key properties of [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol?
[6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol has a molecular weight of 235.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 66718751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).