3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

C9H14F2N2O3 — CID 64534441

IUPAC3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESCCOC(C)c1noc(CC(O)C(F)F)n1
InChIInChI=1S/C9H14F2N2O3/c1-3-15-5(2)9-12-7(16-13-9)4-6(14)8(10)11/h5-6,8,14H,3-4H2,1-2H3
InChIKeyWAWXLJANQOWLRV-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.34
Rot. Bonds6

About 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol

3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (PubChem CID 64534441) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
PubChem CID64534441
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
SMILESCCOC(C)c1noc(CC(O)C(F)F)n1
InChIInChI=1S/C9H14F2N2O3/c1-3-15-5(2)9-12-7(16-13-9)4-6(14)8(10)11/h5-6,8,14H,3-4H2,1-2H3
InChIKeyWAWXLJANQOWLRV-UHFFFAOYSA-N
XLogP1.34
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol (CID 64534441) is 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is CCOC(C)c1noc(CC(O)C(F)F)n1.
What is the InChIKey of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
The InChIKey is WAWXLJANQOWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c1-3-15-5(2)9-12-7(16-13-9)4-6(14)8(10)11/h5-6,8,14H,3-4H2,1-2H3.
What are the key properties of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol?
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol has a molecular weight of 236.22 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 64534441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).