2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

C8H9F4N3O2 — CID 103733619

IUPAC2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)C(F)(F)C(F)F)no1
InChIInChI=1S/C8H9F4N3O2/c1-4-14-5(15-17-4)2-3-13-7(16)8(11,12)6(9)10/h6H,2-3H2,1H3,(H,13,16)
InChIKeySCWVMVPLKLUTRS-UHFFFAOYSA-N
MW255.17 g/mol
LogP0.94
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 103733619) has the molecular formula C8H9F4N3O2 and a molecular weight of 255.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID103733619
Molecular FormulaC8H9F4N3O2
Molecular Weight255.17 g/mol
Exact Mass255.06
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)C(F)(F)C(F)F)no1
InChIInChI=1S/C8H9F4N3O2/c1-4-14-5(15-17-4)2-3-13-7(16)8(11,12)6(9)10/h6H,2-3H2,1H3,(H,13,16)
InChIKeySCWVMVPLKLUTRS-UHFFFAOYSA-N
XLogP0.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)ethanamine hydrochloride
CID 68756006
"N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide"
CID 91917590
2-(5-Methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 12551357
2-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 17604994
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)propan-1-amine hydrochloride
CID 122360071
2-(3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 145915661
N-[2-(5-Methyl-1,2,4-oxadiazol-3-YL)ethyl]cyclopropanecarboxamide
CID 91907145
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91917571
3,3-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 91917574
2,2-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 103603973
2-(methylthio)-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}acetamide
CID 77080312
N-[(5-Cyclopropyl-1,2,4-oxadiazol-3-YL)methyl]-4,4,4-trifluorobutanamide
CID 91775633

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 103733619) is 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is Cc1nc(CCNC(=O)C(F)(F)C(F)F)no1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is SCWVMVPLKLUTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O2/c1-4-14-5(15-17-4)2-3-13-7(16)8(11,12)6(9)10/h6H,2-3H2,1H3,(H,13,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 255.17 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 103733619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).