2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole

C9H14F2N2O — CID 170383410

IUPAC2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole
SMILESCCCC(CC)c1nnc(C(F)F)o1
InChIInChI=1S/C9H14F2N2O/c1-3-5-6(4-2)8-12-13-9(14-8)7(10)11/h6-7H,3-5H2,1-2H3
InChIKeyAOQUCJMYDWWNPL-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.30
Rot. Bonds5

About 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole

2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole (PubChem CID 170383410) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole
PubChem CID170383410
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole
SMILESCCCC(CC)c1nnc(C(F)F)o1
InChIInChI=1S/C9H14F2N2O/c1-3-5-6(4-2)8-12-13-9(14-8)7(10)11/h6-7H,3-5H2,1-2H3
InChIKeyAOQUCJMYDWWNPL-UHFFFAOYSA-N
XLogP3.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole (CID 170383410) is 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole is CCCC(CC)c1nnc(C(F)F)o1.
What is the InChIKey of 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole?
The InChIKey is AOQUCJMYDWWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-3-5-6(4-2)8-12-13-9(14-8)7(10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole?
2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole has a molecular weight of 204.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 170383410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).