N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine

C7H9F4N3O — CID 104632959

IUPACN-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(C(F)(F)C(F)F)o1
InChIInChI=1S/C7H9F4N3O/c1-12-3-2-4-13-14-6(15-4)7(10,11)5(8)9/h5,12H,2-3H2,1H3
InChIKeyCBHGYPGUDDHYNF-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.19
Rot. Bonds5

About N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine

N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 104632959) has the molecular formula C7H9F4N3O and a molecular weight of 227.16 g/mol. Its IUPAC name is N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID104632959
Molecular FormulaC7H9F4N3O
Molecular Weight227.16 g/mol
Exact Mass227.07
IUPAC NameN-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(C(F)(F)C(F)F)o1
InChIInChI=1S/C7H9F4N3O/c1-12-3-2-4-13-14-6(15-4)7(10,11)5(8)9/h5,12H,2-3H2,1H3
InChIKeyCBHGYPGUDDHYNF-UHFFFAOYSA-N
XLogP1.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 104632969
2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole
CID 104632668
[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 104632907
N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 104632921
N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164813
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
N-ethyl-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 104632933
2-[5-(difluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylethanamine
CID 84771378
2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 130710201
2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897
2-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 63047021
2-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 103166389

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 104632959) is N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CNCCc1nnc(C(F)(F)C(F)F)o1.
What is the InChIKey of N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is CBHGYPGUDDHYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3O/c1-12-3-2-4-13-14-6(15-4)7(10,11)5(8)9/h5,12H,2-3H2,1H3.
What are the key properties of N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 227.16 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 104632959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).