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

C9H12F3N3O — CID 62163113

IUPACN-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)Cc1nnc(CCNC2CC2)o1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)5-8-15-14-7(16-8)3-4-13-6-1-2-6/h6,13H,1-5H2
InChIKeyQBZIKPIZOJMWMT-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.47
Rot. Bonds5

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

N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 62163113) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID62163113
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)Cc1nnc(CCNC2CC2)o1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)5-8-15-14-7(16-8)3-4-13-6-1-2-6/h6,13H,1-5H2
InChIKeyQBZIKPIZOJMWMT-UHFFFAOYSA-N
XLogP1.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 62163113) is N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is FC(F)(F)Cc1nnc(CCNC2CC2)o1.
What is the InChIKey of N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is QBZIKPIZOJMWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)5-8-15-14-7(16-8)3-4-13-6-1-2-6/h6,13H,1-5H2.
What are the key properties of N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 235.21 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 62163113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).