3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C7H10F3N3O — CID 62072144

IUPAC3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)4-6-13-12-5(14-6)2-1-3-11/h1-4,11H2
InChIKeyDZBNUROYQLLYNT-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.07
Rot. Bonds4

About 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62072144) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62072144
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(CC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)4-6-13-12-5(14-6)2-1-3-11/h1-4,11H2
InChIKeyDZBNUROYQLLYNT-UHFFFAOYSA-N
XLogP1.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Methyl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 24254542
2-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070942
3-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62071291
N-methyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137248
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137800
N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138016
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62138169
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138544
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138942
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139454
1-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62855080
1-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857914

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62072144) is 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is NCCCc1nnc(CC(F)(F)F)o1.
What is the InChIKey of 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is DZBNUROYQLLYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)4-6-13-12-5(14-6)2-1-3-11/h1-4,11H2.
What are the key properties of 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 209.17 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62072144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).