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

C7H10F2N2O2 — CID 63346256

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
SMILESCCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C7H10F2N2O2/c1-2-5-10-6(13-11-5)3-4(12)7(8)9/h4,7,12H,2-3H2,1H3
InChIKeyVFJDTMJJDUDIBQ-UHFFFAOYSA-N
MW192.16 g/mol
LogP0.80
Rot. Bonds4

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

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol (PubChem CID 63346256) has the molecular formula C7H10F2N2O2 and a molecular weight of 192.16 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
PubChem CID63346256
Molecular FormulaC7H10F2N2O2
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol
SMILESCCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C7H10F2N2O2/c1-2-5-10-6(13-11-5)3-4(12)7(8)9/h4,7,12H,2-3H2,1H3
InChIKeyVFJDTMJJDUDIBQ-UHFFFAOYSA-N
XLogP0.80
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.80
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-difluoropropan-2-ol?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol (CID 63346256) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol is CCc1noc(CC(O)C(F)F)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
The InChIKey is VFJDTMJJDUDIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2/c1-2-5-10-6(13-11-5)3-4(12)7(8)9/h4,7,12H,2-3H2,1H3.
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-ol has a molecular weight of 192.16 g/mol, XLogP of 0.80, 4 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-difluoropropan-2-ol is sourced from PubChem (CID 63346256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).