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

C7H11F2N3O — CID 106394517

IUPAC1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(NCCc1ncno1)C(F)F
InChIInChI=1S/C7H11F2N3O/c1-5(7(8)9)10-3-2-6-11-4-12-13-6/h4-5,7,10H,2-3H2,1H3
InChIKeyNBYGFSDFMOGKHI-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.86
Rot. Bonds5

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

1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 106394517) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID106394517
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(NCCc1ncno1)C(F)F
InChIInChI=1S/C7H11F2N3O/c1-5(7(8)9)10-3-2-6-11-4-12-13-6/h4-5,7,10H,2-3H2,1H3
InChIKeyNBYGFSDFMOGKHI-UHFFFAOYSA-N
XLogP0.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
N-[2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 61392874
N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61712071
N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62327434
N-[2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 79954735
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007714
N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82007972
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 82008394
N-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 82008560
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 106394517) is 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is CC(NCCc1ncno1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is NBYGFSDFMOGKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-5(7(8)9)10-3-2-6-11-4-12-13-6/h4-5,7,10H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 191.18 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 106394517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).