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

C11H15F4N3O2 — CID 103473134

IUPACN-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESFC(F)C(F)(F)COCc1noc(CCNC2CC2)n1
InChIInChI=1S/C11H15F4N3O2/c12-10(13)11(14,15)6-19-5-8-17-9(20-18-8)3-4-16-7-1-2-7/h7,10,16H,1-6H2
InChIKeyHQNMSBVEPREAFW-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.78
Rot. Bonds9

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

N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 103473134) has the molecular formula C11H15F4N3O2 and a molecular weight of 297.25 g/mol. Its IUPAC name is N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID103473134
Molecular FormulaC11H15F4N3O2
Molecular Weight297.25 g/mol
Exact Mass297.11
IUPAC NameN-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESFC(F)C(F)(F)COCc1noc(CCNC2CC2)n1
InChIInChI=1S/C11H15F4N3O2/c12-10(13)11(14,15)6-19-5-8-17-9(20-18-8)3-4-16-7-1-2-7/h7,10,16H,1-6H2
InChIKeyHQNMSBVEPREAFW-UHFFFAOYSA-N
XLogP1.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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
N-ethyl-1-methoxy-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79964779
1-methoxy-N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79965217
3-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 80418800
3-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 80419514
N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 82007466

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 103473134) is N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is FC(F)C(F)(F)COCc1noc(CCNC2CC2)n1.
What is the InChIKey of N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is HQNMSBVEPREAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O2/c12-10(13)11(14,15)6-19-5-8-17-9(20-18-8)3-4-16-7-1-2-7/h7,10,16H,1-6H2.
What are the key properties of N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 297.25 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 103473134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).