1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C6H9F2N3O — CID 62855080

IUPAC1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(C(F)F)o1
InChIInChI=1S/C6H9F2N3O/c1-2-3(9)5-10-11-6(12-5)4(7)8/h3-4H,2,9H2,1H3
InChIKeyQLGJSEAORCAKLA-UHFFFAOYSA-N
MW177.15 g/mol
LogP1.42
Rot. Bonds3

About 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62855080) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62855080
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(C(F)F)o1
InChIInChI=1S/C6H9F2N3O/c1-2-3(9)5-10-11-6(12-5)4(7)8/h3-4H,2,9H2,1H3
InChIKeyQLGJSEAORCAKLA-UHFFFAOYSA-N
XLogP1.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62855080) is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is QLGJSEAORCAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-2-3(9)5-10-11-6(12-5)4(7)8/h3-4H,2,9H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 177.15 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62855080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).