2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine

C10H8F3N3O — CID 65100446

IUPAC2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2c(F)cc(F)cc2F)o1
InChIInChI=1S/C10H8F3N3O/c11-5-3-6(12)9(7(13)4-5)10-16-15-8(17-10)1-2-14/h3-4H,1-2,14H2
InChIKeyPTSKXQQGXJDNSP-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.66
Rot. Bonds3

About 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 65100446) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID65100446
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2c(F)cc(F)cc2F)o1
InChIInChI=1S/C10H8F3N3O/c11-5-3-6(12)9(7(13)4-5)10-16-15-8(17-10)1-2-14/h3-4H,1-2,14H2
InChIKeyPTSKXQQGXJDNSP-UHFFFAOYSA-N
XLogP1.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 65100446) is 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(-c2c(F)cc(F)cc2F)o1.
What is the InChIKey of 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is PTSKXQQGXJDNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-5-3-6(12)9(7(13)4-5)10-16-15-8(17-10)1-2-14/h3-4H,1-2,14H2.
What are the key properties of 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 243.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 65100446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).