N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine

C6H8F3N3O — CID 83959781

IUPACN,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCN(C)Cc1nnc(C(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c1-12(2)3-4-10-11-5(13-4)6(7,8)9/h3H2,1-2H3
InChIKeyWBQBMXVAFXYNSJ-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.15
Rot. Bonds2

About N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine

N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 83959781) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID83959781
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC NameN,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCN(C)Cc1nnc(C(F)(F)F)o1
InChIInChI=1S/C6H8F3N3O/c1-12(2)3-4-10-11-5(13-4)6(7,8)9/h3H2,1-2H3
InChIKeyWBQBMXVAFXYNSJ-UHFFFAOYSA-N
XLogP1.15
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 83959781) is N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is CN(C)Cc1nnc(C(F)(F)F)o1.
What is the InChIKey of N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is WBQBMXVAFXYNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-12(2)3-4-10-11-5(13-4)6(7,8)9/h3H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine?
N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 195.14 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 83959781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).