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

C8H11F4N3O — CID 104632921

IUPACN-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(C(F)(F)C(F)F)o1
InChIInChI=1S/C8H11F4N3O/c1-2-3-13-4-5-14-15-7(16-5)8(11,12)6(9)10/h6,13H,2-4H2,1H3
InChIKeyYVTMTGJMABKFJD-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.93
Rot. Bonds6

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

N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 104632921) has the molecular formula C8H11F4N3O and a molecular weight of 241.19 g/mol. Its IUPAC name is N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID104632921
Molecular FormulaC8H11F4N3O
Molecular Weight241.19 g/mol
Exact Mass241.08
IUPAC NameN-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(C(F)(F)C(F)F)o1
InChIInChI=1S/C8H11F4N3O/c1-2-3-13-4-5-14-15-7(16-5)8(11,12)6(9)10/h6,13H,2-4H2,1H3
InChIKeyYVTMTGJMABKFJD-UHFFFAOYSA-N
XLogP1.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 104632959
[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 104632907
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364
2-(2-chloroethyl)-5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazole
CID 104632668
N-[[5-(2,4-dimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 114282336
N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103211969
N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 112603853
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62138113
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103022416
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 104632921) is N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(C(F)(F)C(F)F)o1.
What is the InChIKey of N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is YVTMTGJMABKFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3O/c1-2-3-13-4-5-14-15-7(16-5)8(11,12)6(9)10/h6,13H,2-4H2,1H3.
What are the key properties of N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 241.19 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 104632921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).