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

C5H7F2N3O — CID 62069890

IUPAC2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C(F)F)o1
InChIInChI=1S/C5H7F2N3O/c6-4(7)5-10-9-3(11-5)1-2-8/h4H,1-2,8H2
InChIKeyMWZYSJQWAASUKH-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.51
Rot. Bonds3

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

2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62069890) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62069890
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(C(F)F)o1
InChIInChI=1S/C5H7F2N3O/c6-4(7)5-10-9-3(11-5)1-2-8/h4H,1-2,8H2
InChIKeyMWZYSJQWAASUKH-UHFFFAOYSA-N
XLogP0.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.51
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
2-[5-(Fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58687551
N-ethyl-2-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 58689305
2-(Azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 105446626
2-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 118570621
2-(Azetidin-3-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169273849
[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070926
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62069890) is 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(C(F)F)o1.
What is the InChIKey of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is MWZYSJQWAASUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c6-4(7)5-10-9-3(11-5)1-2-8/h4H,1-2,8H2.
What are the key properties of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 163.13 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62069890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).