2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide

C11H11F4NO2 — CID 113257758

IUPAC2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(O)cc1)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H11F4NO2/c1-16(10(18)11(14,15)9(12)13)6-7-2-4-8(17)5-3-7/h2-5,9,17H,6H2,1H3
InChIKeyTWGSPFJNNLQYNO-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.25
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide

2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide (PubChem CID 113257758) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
PubChem CID113257758
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(O)cc1)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H11F4NO2/c1-16(10(18)11(14,15)9(12)13)6-7-2-4-8(17)5-3-7/h2-5,9,17H,6H2,1H3
InChIKeyTWGSPFJNNLQYNO-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide (CID 113257758) is 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(O)cc1)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is TWGSPFJNNLQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-16(10(18)11(14,15)9(12)13)6-7-2-4-8(17)5-3-7/h2-5,9,17H,6H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 265.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 113257758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).