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

C8H10F3N3O — CID 62139071

IUPACN-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Cc1nnc(CNC2CC2)o1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)3-6-13-14-7(15-6)4-12-5-1-2-5/h5,12H,1-4H2
InChIKeyXMRSJFRMFNRMSP-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.43
Rot. Bonds4

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

N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62139071) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID62139071
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)Cc1nnc(CNC2CC2)o1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)3-6-13-14-7(15-6)4-12-5-1-2-5/h5,12H,1-4H2
InChIKeyXMRSJFRMFNRMSP-UHFFFAOYSA-N
XLogP1.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]ethane-1,2-diamine
CID 70458407
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
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62138324
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62139039

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 62139071) is N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is FC(F)(F)Cc1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is XMRSJFRMFNRMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)3-6-13-14-7(15-6)4-12-5-1-2-5/h5,12H,1-4H2.
What are the key properties of N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 221.18 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62139071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).