2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine

C7H10F3N3OS — CID 62581347

IUPAC2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCc1nnc(SCCNCC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3OS/c1-5-12-13-6(14-5)15-3-2-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyDRHGUEUIYNDDEW-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.62
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine (PubChem CID 62581347) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
PubChem CID62581347
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCc1nnc(SCCNCC(F)(F)F)o1
InChIInChI=1S/C7H10F3N3OS/c1-5-12-13-6(14-5)15-3-2-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyDRHGUEUIYNDDEW-UHFFFAOYSA-N
XLogP1.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine (CID 62581347) is 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine is Cc1nnc(SCCNCC(F)(F)F)o1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?
The InChIKey is DRHGUEUIYNDDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-5-12-13-6(14-5)15-3-2-11-4-7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine has a molecular weight of 241.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethanamine is sourced from PubChem (CID 62581347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).