2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide

C8H9F4N3O — CID 103732651

IUPAC2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCn1nccc1CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-15-5(2-3-14-15)4-13-7(16)8(11,12)6(9)10/h2-3,6H,4H2,1H3,(H,13,16)
InChIKeyCCWDFOXDMOBGCS-UHFFFAOYSA-N
MW239.17 g/mol
LogP0.94
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide

2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 103732651) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID103732651
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCn1nccc1CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-15-5(2-3-14-15)4-13-7(16)8(11,12)6(9)10/h2-3,6H,4H2,1H3,(H,13,16)
InChIKeyCCWDFOXDMOBGCS-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 103732651) is 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide is Cn1nccc1CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is CCWDFOXDMOBGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-15-5(2-3-14-15)4-13-7(16)8(11,12)6(9)10/h2-3,6H,4H2,1H3,(H,13,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 239.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(2-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 103732651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).