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

C10H16F3N3O2 — CID 103212011

IUPACN-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O2/c1-3-4-14-7(2)9-16-15-8(18-9)5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyDMVLIJJVMDORLT-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.21
Rot. Bonds7

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

N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 103212011) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID103212011
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C10H16F3N3O2/c1-3-4-14-7(2)9-16-15-8(18-9)5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyDMVLIJJVMDORLT-UHFFFAOYSA-N
XLogP2.21
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 103212011) is N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(COCC(F)(F)F)o1.
What is the InChIKey of N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is DMVLIJJVMDORLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-3-4-14-7(2)9-16-15-8(18-9)5-17-6-10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 267.25 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103212011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).