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

C5H8FN3O — CID 58687551

IUPAC2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(CF)o1
InChIInChI=1S/C5H8FN3O/c6-3-5-9-8-4(10-5)1-2-7/h1-3,7H2
InChIKeyQPYUHCVPHIOBGC-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.04
Rot. Bonds3

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

2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 58687551) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID58687551
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(CF)o1
InChIInChI=1S/C5H8FN3O/c6-3-5-9-8-4(10-5)1-2-7/h1-3,7H2
InChIKeyQPYUHCVPHIOBGC-UHFFFAOYSA-N
XLogP0.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 10057848
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine Hydrochloride
CID 10057847
2-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 55264118
N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58689305
2-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069890
2-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070942
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162372
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62162385
N-[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162396
N-ethyl-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62163082
N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163094
N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62163246

Frequently Asked Questions

What is the IUPAC name of 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 58687551) is 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(CF)o1.
What is the InChIKey of 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QPYUHCVPHIOBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c6-3-5-9-8-4(10-5)1-2-7/h1-3,7H2.
What are the key properties of 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 145.14 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 58687551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).