1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol

C6H8F2N2O2 — CID 63346115

IUPAC1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C6H8F2N2O2/c1-3-9-5(12-10-3)2-4(11)6(7)8/h4,6,11H,2H2,1H3
InChIKeyORPYBZMHXMETTQ-UHFFFAOYSA-N
MW178.14 g/mol
LogP0.55
Rot. Bonds3

About 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol

1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 63346115) has the molecular formula C6H8F2N2O2 and a molecular weight of 178.14 g/mol. Its IUPAC name is 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID63346115
Molecular FormulaC6H8F2N2O2
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC Name1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCc1noc(CC(O)C(F)F)n1
InChIInChI=1S/C6H8F2N2O2/c1-3-9-5(12-10-3)2-4(11)6(7)8/h4,6,11H,2H2,1H3
InChIKeyORPYBZMHXMETTQ-UHFFFAOYSA-N
XLogP0.55
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 63346115) is 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol is Cc1noc(CC(O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is ORPYBZMHXMETTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O2/c1-3-9-5(12-10-3)2-4(11)6(7)8/h4,6,11H,2H2,1H3.
What are the key properties of 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol?
1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 178.14 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 63346115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).