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

C6H9F2N3O — CID 130605237

IUPAC2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(F)(F)c1nnc(CCN)o1
InChIInChI=1S/C6H9F2N3O/c1-6(7,8)5-11-10-4(12-5)2-3-9/h2-3,9H2,1H3
InChIKeyUKBWSUJHXWNGJJ-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.68
Rot. Bonds3

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

2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 130605237) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID130605237
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(F)(F)c1nnc(CCN)o1
InChIInChI=1S/C6H9F2N3O/c1-6(7,8)5-11-10-4(12-5)2-3-9/h2-3,9H2,1H3
InChIKeyUKBWSUJHXWNGJJ-UHFFFAOYSA-N
XLogP0.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethan-1-amine
CID 10057848
N,N-dimethyl-2-(5-trifluoromethyl-1,3,4-oxa-diazol-2-yl)ethanamine
CID 24179334
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-[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
1-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071135
3-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62071291
3-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62072144
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 130605237) is 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(F)(F)c1nnc(CCN)o1.
What is the InChIKey of 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is UKBWSUJHXWNGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-6(7,8)5-11-10-4(12-5)2-3-9/h2-3,9H2,1H3.
What are the key properties of 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 177.15 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 130605237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).