5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine

C6H10F2N4O — CID 106963597

IUPAC5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCC(F)F)o1
InChIInChI=1S/C6H10F2N4O/c7-4(8)3-10-6-12-11-5(13-6)1-2-9/h4H,1-3,9H2,(H,10,12)
InChIKeyOGKBDEDTCYFUTH-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.25
Rot. Bonds5

About 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963597) has the molecular formula C6H10F2N4O and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963597
Molecular FormulaC6H10F2N4O
Molecular Weight192.17 g/mol
Exact Mass192.08
IUPAC Name5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCC(F)F)o1
InChIInChI=1S/C6H10F2N4O/c7-4(8)3-10-6-12-11-5(13-6)1-2-9/h4H,1-3,9H2,(H,10,12)
InChIKeyOGKBDEDTCYFUTH-UHFFFAOYSA-N
XLogP0.25
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine (CID 106963597) is 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine is NCCc1nnc(NCC(F)F)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OGKBDEDTCYFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4O/c7-4(8)3-10-6-12-11-5(13-6)1-2-9/h4H,1-3,9H2,(H,10,12).
What are the key properties of 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 192.17 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).