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

C10H14F3N3O2 — CID 103472780

IUPACN-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)COCc1noc(CCNC2CC2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-8-15-9(18-16-8)3-4-14-7-1-2-7/h7,14H,1-6H2
InChIKeyWMRPSHQLCVGEIU-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.44
Rot. Bonds7

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

N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 103472780) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID103472780
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)COCc1noc(CCNC2CC2)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-8-15-9(18-16-8)3-4-14-7-1-2-7/h7,14H,1-6H2
InChIKeyWMRPSHQLCVGEIU-UHFFFAOYSA-N
XLogP1.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(Difluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]morpholine
CID 89914705
3-(Ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10774804
2-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 51072259
1-methoxy-N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55202624
N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 61392820
N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61392874
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 61736422
1-Methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350325
1-methoxy-N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350463
N-ethyl-1-methoxy-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350464
N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 79954578
1-methoxy-N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79964609

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 103472780) is N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is FC(F)(F)COCc1noc(CCNC2CC2)n1.
What is the InChIKey of N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is WMRPSHQLCVGEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)6-17-5-8-15-9(18-16-8)3-4-14-7-1-2-7/h7,14H,1-6H2.
What are the key properties of N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 265.23 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 103472780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).