1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C9H14F2N2O3 — CID 65093584

IUPAC1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCOCCCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C9H14F2N2O3/c1-15-4-2-3-7-12-8(16-13-7)5-6(14)9(10)11/h6,9,14H,2-5H2,1H3
InChIKeyQLKUZHREASHFFG-UHFFFAOYSA-N
MW236.22 g/mol
LogP0.82
Rot. Bonds7

About 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 65093584) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID65093584
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCOCCCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C9H14F2N2O3/c1-15-4-2-3-7-12-8(16-13-7)5-6(14)9(10)11/h6,9,14H,2-5H2,1H3
InChIKeyQLKUZHREASHFFG-UHFFFAOYSA-N
XLogP0.82
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 65093584) is 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is COCCCc1noc(CC(O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is QLKUZHREASHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c1-15-4-2-3-7-12-8(16-13-7)5-6(14)9(10)11/h6,9,14H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 236.22 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 65093584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).