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

C10H16F3N3O — CID 55202431

IUPAC3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)(C)C(N)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c1-9(2,3)6(14)4-8-15-7(16-17-8)5-10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeyOXCTYWOXMNSFRV-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.09
Rot. Bonds3

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

3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 55202431) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID55202431
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)(C)C(N)Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C10H16F3N3O/c1-9(2,3)6(14)4-8-15-7(16-17-8)5-10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeyOXCTYWOXMNSFRV-UHFFFAOYSA-N
XLogP2.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 55202431) is 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(C)(C)C(N)Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is OXCTYWOXMNSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-9(2,3)6(14)4-8-15-7(16-17-8)5-10(11,12)13/h6H,4-5,14H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 55202431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).