2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide

C10H8F5NO — CID 2995078

IUPAC2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C10H8F5NO/c1-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17)
InChIKeyZYOVZJUWAKMGMF-UHFFFAOYSA-N
MW253.17 g/mol
LogP2.97
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide

2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide (PubChem CID 2995078) has the molecular formula C10H8F5NO and a molecular weight of 253.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide
PubChem CID2995078
Molecular FormulaC10H8F5NO
Molecular Weight253.17 g/mol
Exact Mass253.05
IUPAC Name2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C10H8F5NO/c1-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17)
InChIKeyZYOVZJUWAKMGMF-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluoro-5-methylphenyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide (CID 2995078) is 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide is Cc1ccc(F)c(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide?
The InChIKey is ZYOVZJUWAKMGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO/c1-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide has a molecular weight of 253.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 2995078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).