2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide

C10H11F2NO2 — CID 103515193

IUPAC2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(O)cc1)C(=O)C(F)F
InChIInChI=1S/C10H11F2NO2/c1-13(10(15)9(11)12)6-7-2-4-8(14)5-3-7/h2-5,9,14H,6H2,1H3
InChIKeyIXXZMTSNAYBHRV-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.62
Rot. Bonds3

About 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide

2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 103515193) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID103515193
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(O)cc1)C(=O)C(F)F
InChIInChI=1S/C10H11F2NO2/c1-13(10(15)9(11)12)6-7-2-4-8(14)5-3-7/h2-5,9,14H,6H2,1H3
InChIKeyIXXZMTSNAYBHRV-UHFFFAOYSA-N
XLogP1.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyltyramine
CID 121051
4-((Dimethylamino)methyl)phenol
CID 32895
2-(Trifluoroacetyl)-1,2,3,4-Tetrahydroisoquinolin-6-Ol
CID 18695694
4-((Methylamino)methyl)phenol
CID 13104924
N,N-diethyl-4-hydroxybenzamide
CID 504154
N-(4-hydroxybenzyl)icosa-5,8,11,14-tetraenamide
CID 10811495
2-(Trifluoroacetyl)-1,2,3,4-Tetrahydroisoquinolin-7-Ol
CID 50919273
N-[(4-hydroxyphenyl)methyl]acetamide
CID 458498
2,2,2-Trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 572282
4-{[Cyclohexyl(methyl)amino]methyl}phenol
CID 783013
N-[(4-Hydroxyphenyl)methyl]formamide
CID 44371268
N-methyl-N-formyl-4-hydroxy-beta-phenylethylamine
CID 11446673

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide (CID 103515193) is 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide is CN(Cc1ccc(O)cc1)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is IXXZMTSNAYBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-13(10(15)9(11)12)6-7-2-4-8(14)5-3-7/h2-5,9,14H,6H2,1H3.
What are the key properties of 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide?
2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 215.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 103515193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).