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

C5H7F2N3O — CID 62070080

IUPAC1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C(F)F)o1
InChIInChI=1S/C5H7F2N3O/c1-2(8)4-9-10-5(11-4)3(6)7/h2-3H,8H2,1H3
InChIKeyZNEJIXJVCXRNSC-UHFFFAOYSA-N
MW163.13 g/mol
LogP1.03
Rot. Bonds2

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

1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62070080) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62070080
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C(F)F)o1
InChIInChI=1S/C5H7F2N3O/c1-2(8)4-9-10-5(11-4)3(6)7/h2-3H,8H2,1H3
InChIKeyZNEJIXJVCXRNSC-UHFFFAOYSA-N
XLogP1.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 51.03
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]ethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62070080) is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is ZNEJIXJVCXRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c1-2(8)4-9-10-5(11-4)3(6)7/h2-3H,8H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 163.13 g/mol, XLogP of 1.03, 2 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]ethanamine is sourced from PubChem (CID 62070080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).