4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C10H14F4N2O3 — CID 103476802

IUPAC4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C10H14F4N2O3/c1-6(17)2-3-8-15-7(16-19-8)4-18-5-10(13,14)9(11)12/h6,9,17H,2-5H2,1H3
InChIKeyLUAMOLKOPDUBQS-UHFFFAOYSA-N
MW286.23 g/mol
LogP1.80
Rot. Bonds8

About 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 103476802) has the molecular formula C10H14F4N2O3 and a molecular weight of 286.23 g/mol. Its IUPAC name is 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID103476802
Molecular FormulaC10H14F4N2O3
Molecular Weight286.23 g/mol
Exact Mass286.09
IUPAC Name4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C10H14F4N2O3/c1-6(17)2-3-8-15-7(16-19-8)4-18-5-10(13,14)9(11)12/h6,9,17H,2-5H2,1H3
InChIKeyLUAMOLKOPDUBQS-UHFFFAOYSA-N
XLogP1.80
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 103476802) is 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(O)CCc1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is LUAMOLKOPDUBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N2O3/c1-6(17)2-3-8-15-7(16-19-8)4-18-5-10(13,14)9(11)12/h6,9,17H,2-5H2,1H3.
What are the key properties of 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 286.23 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 103476802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).