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

C7H10F4N4O — CID 106296571

IUPAC5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCC(F)(F)C(F)F)o1
InChIInChI=1S/C7H10F4N4O/c8-5(9)7(10,11)3-13-6-15-14-4(16-6)1-2-12/h5H,1-3,12H2,(H,13,15)
InChIKeyMRMSPRCKFHSGFJ-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.88
Rot. Bonds6

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

5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106296571) has the molecular formula C7H10F4N4O and a molecular weight of 242.18 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106296571
Molecular FormulaC7H10F4N4O
Molecular Weight242.18 g/mol
Exact Mass242.08
IUPAC Name5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCC(F)(F)C(F)F)o1
InChIInChI=1S/C7H10F4N4O/c8-5(9)7(10,11)3-13-6-15-14-4(16-6)1-2-12/h5H,1-3,12H2,(H,13,15)
InChIKeyMRMSPRCKFHSGFJ-UHFFFAOYSA-N
XLogP0.88
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959660
5-(2-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966390
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
5-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106413138
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964958
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
5-(2-aminoethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425031
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
CID 114176109
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
2-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071124

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine (CID 106296571) is 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine is NCCc1nnc(NCC(F)(F)C(F)F)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MRMSPRCKFHSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N4O/c8-5(9)7(10,11)3-13-6-15-14-4(16-6)1-2-12/h5H,1-3,12H2,(H,13,15).
What are the key properties of 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 242.18 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106296571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).