1,1,1,3,3,3-hexafluoropropane;oxadiazole

C5H4F6N2O — CID 159434578

IUPAC1,1,1,3,3,3-hexafluoropropane;oxadiazole
SMILESFC(F)(F)CC(F)(F)F.c1conn1
InChIInChI=1S/C3H2F6.C2H2N2O/c4-2(5,6)1-3(7,8)9;1-2-5-4-3-1/h1H2;1-2H
InChIKeyLRKMFLWYXVVEEQ-UHFFFAOYSA-N
MW222.09 g/mol
LogP2.57
Rot. Bonds

About 1,1,1,3,3,3-hexafluoropropane;oxadiazole

1,1,1,3,3,3-hexafluoropropane;oxadiazole (PubChem CID 159434578) has the molecular formula C5H4F6N2O and a molecular weight of 222.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropane;oxadiazole.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropane;oxadiazole
PubChem CID159434578
Molecular FormulaC5H4F6N2O
Molecular Weight222.09 g/mol
Exact Mass222.02
IUPAC Name1,1,1,3,3,3-hexafluoropropane;oxadiazole
SMILESFC(F)(F)CC(F)(F)F.c1conn1
InChIInChI=1S/C3H2F6.C2H2N2O/c4-2(5,6)1-3(7,8)9;1-2-5-4-3-1/h1H2;1-2H
InChIKeyLRKMFLWYXVVEEQ-UHFFFAOYSA-N
XLogP2.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropane;oxadiazole?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropane;oxadiazole (CID 159434578) is 1,1,1,3,3,3-hexafluoropropane;oxadiazole.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropane;oxadiazole?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropane;oxadiazole is FC(F)(F)CC(F)(F)F.c1conn1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropane;oxadiazole?
The InChIKey is LRKMFLWYXVVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6.C2H2N2O/c4-2(5,6)1-3(7,8)9;1-2-5-4-3-1/h1H2;1-2H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropane;oxadiazole?
1,1,1,3,3,3-hexafluoropropane;oxadiazole has a molecular weight of 222.09 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropane;oxadiazole is sourced from PubChem (CID 159434578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).