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

C6H9F2N3O — CID 62138111

IUPACN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(C(F)F)o1
InChIInChI=1S/C6H9F2N3O/c1-2-9-3-4-10-11-6(12-4)5(7)8/h5,9H,2-3H2,1H3
InChIKeyRYSCGOJZZKVITJ-UHFFFAOYSA-N
MW177.15 g/mol
LogP1.12
Rot. Bonds4

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

N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (PubChem CID 62138111) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
PubChem CID62138111
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC NameN-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(C(F)F)o1
InChIInChI=1S/C6H9F2N3O/c1-2-9-3-4-10-11-6(12-4)5(7)8/h5,9H,2-3H2,1H3
InChIKeyRYSCGOJZZKVITJ-UHFFFAOYSA-N
XLogP1.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine (CID 62138111) is N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(C(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
The InChIKey is RYSCGOJZZKVITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-2-9-3-4-10-11-6(12-4)5(7)8/h5,9H,2-3H2,1H3.
What are the key properties of N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine?
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine has a molecular weight of 177.15 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62138111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).