3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol

C7H9F3N2O2 — CID 63346119

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCc1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O2/c1-2-5-11-6(14-12-5)3-4(13)7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyHTVWZMQHWMBXBM-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.10
Rot. Bonds3

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63346119) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63346119
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCc1noc(CC(O)C(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O2/c1-2-5-11-6(14-12-5)3-4(13)7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyHTVWZMQHWMBXBM-UHFFFAOYSA-N
XLogP1.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol (CID 63346119) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol is CCc1noc(CC(O)C(F)(F)F)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is HTVWZMQHWMBXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-2-5-11-6(14-12-5)3-4(13)7(8,9)10/h4,13H,2-3H2,1H3.
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 210.15 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63346119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).