2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine

C6H9F2N3O — CID 106399946

IUPAC2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESFC(F)CNCCc1ncno1
InChIInChI=1S/C6H9F2N3O/c7-5(8)3-9-2-1-6-10-4-11-12-6/h4-5,9H,1-3H2
InChIKeyWCDRBVSNBSKBQE-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.47
Rot. Bonds5

About 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine

2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 106399946) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID106399946
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESFC(F)CNCCc1ncno1
InChIInChI=1S/C6H9F2N3O/c7-5(8)3-9-2-1-6-10-4-11-12-6/h4-5,9H,1-3H2
InChIKeyWCDRBVSNBSKBQE-UHFFFAOYSA-N
XLogP0.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
N-methyl-2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62342280
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61392906
N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61712071
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62327434
N-methyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79952687
2-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79952845
N-ethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79952849
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007714
N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007972
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 106399946) is 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is FC(F)CNCCc1ncno1.
What is the InChIKey of 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is WCDRBVSNBSKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c7-5(8)3-9-2-1-6-10-4-11-12-6/h4-5,9H,1-3H2.
What are the key properties of 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 177.15 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106399946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).