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

C7H9F4N3O — CID 106291994

IUPAC2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCc1nnc(CNCC(F)(F)C(F)F)o1
InChIInChI=1S/C7H9F4N3O/c1-4-13-14-5(15-4)2-12-3-7(10,11)6(8)9/h6,12H,2-3H2,1H3
InChIKeyQESFQWODAOPAKG-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.37
Rot. Bonds5

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

2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (PubChem CID 106291994) has the molecular formula C7H9F4N3O and a molecular weight of 227.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
PubChem CID106291994
Molecular FormulaC7H9F4N3O
Molecular Weight227.16 g/mol
Exact Mass227.07
IUPAC Name2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCc1nnc(CNCC(F)(F)C(F)F)o1
InChIInChI=1S/C7H9F4N3O/c1-4-13-14-5(15-4)2-12-3-7(10,11)6(8)9/h6,12H,2-3H2,1H3
InChIKeyQESFQWODAOPAKG-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-Methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 28065227
N'-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethane-1,2-diamine
CID 70458407
N-methyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 83959787
N-[(1-fluorocyclopropyl)methyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 169107898
1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine
CID 176761360
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136861
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137035
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137238
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137733
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137936
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137966
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62138111

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (CID 106291994) is 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is Cc1nnc(CNCC(F)(F)C(F)F)o1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is QESFQWODAOPAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3O/c1-4-13-14-5(15-4)2-12-3-7(10,11)6(8)9/h6,12H,2-3H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 227.16 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106291994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).