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

C6H9F2N3O — CID 115406558

IUPAC2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
SMILESCc1nonc1CNCC(F)F
InChIInChI=1S/C6H9F2N3O/c1-4-5(11-12-10-4)2-9-3-6(7)8/h6,9H,2-3H2,1H3
InChIKeyJTIGDWHZWPPLFR-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.73
Rot. Bonds4

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

2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 115406558) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
PubChem CID115406558
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
SMILESCc1nonc1CNCC(F)F
InChIInChI=1S/C6H9F2N3O/c1-4-5(11-12-10-4)2-9-3-6(7)8/h6,9H,2-3H2,1H3
InChIKeyJTIGDWHZWPPLFR-UHFFFAOYSA-N
XLogP0.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (CID 115406558) is 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine is Cc1nonc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is JTIGDWHZWPPLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-4-5(11-12-10-4)2-9-3-6(7)8/h6,9H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 177.15 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115406558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).