N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

C10H14F3N3O — CID 55039122

IUPACN-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESFC(F)(F)Cc1nnc(CCCNC2CC2)o1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)6-9-16-15-8(17-9)2-1-5-14-7-3-4-7/h7,14H,1-6H2
InChIKeyVWFOMVYJTDTGEF-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.86
Rot. Bonds6

About N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 55039122) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID55039122
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESFC(F)(F)Cc1nnc(CCCNC2CC2)o1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)6-9-16-15-8(17-9)2-1-5-14-7-3-4-7/h7,14H,1-6H2
InChIKeyVWFOMVYJTDTGEF-UHFFFAOYSA-N
XLogP1.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 55039272
CID 55039272
CID 55039650
CID 55039650
CID 62137248
CID 62137248
CID 62137291
CID 62137291
CID 62137800
CID 62137800
CID 62138016
CID 62138016
CID 62138169
CID 62138169
CID 62138544
CID 62138544
CID 62138942
CID 62138942
CID 62139454
CID 62139454
CID 62162240
CID 62162240
CID 62163113
CID 62163113

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 55039122) is N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is FC(F)(F)Cc1nnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is VWFOMVYJTDTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)6-9-16-15-8(17-9)2-1-5-14-7-3-4-7/h7,14H,1-6H2.
What are the key properties of N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 249.24 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 55039122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).