2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C5H7F2N3O — CID 106399000

IUPAC2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1ncon1
InChIInChI=1S/C5H7F2N3O/c6-4(7)1-8-2-5-9-3-11-10-5/h3-4,8H,1-2H2
InChIKeyBIAHJZWRDZFYTR-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.42
Rot. Bonds4

About 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106399000) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106399000
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESFC(F)CNCc1ncon1
InChIInChI=1S/C5H7F2N3O/c6-4(7)1-8-2-5-9-3-11-10-5/h3-4,8H,1-2H2
InChIKeyBIAHJZWRDZFYTR-UHFFFAOYSA-N
XLogP0.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182980
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398580
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 114183785
methyl 2-bromo-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
CID 106401835
1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 106398798
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
CID 106398904
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106399365
1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
CID 106399294
2,2,3,3-tetrafluoro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106409869
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
CID 106393813

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106399000) is 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is FC(F)CNCc1ncon1.
What is the InChIKey of 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is BIAHJZWRDZFYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O/c6-4(7)1-8-2-5-9-3-11-10-5/h3-4,8H,1-2H2.
What are the key properties of 2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 163.13 g/mol, XLogP of 0.42, 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-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106399000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).