2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide

C10H12FNO3 — CID 112613129

IUPAC2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(F)cccc1CO
InChIInChI=1S/C10H12FNO3/c1-12-9(14)6-15-10-7(5-13)3-2-4-8(10)11/h2-4,13H,5-6H2,1H3,(H,12,14)
InChIKeyUMUCQNQMWQNPLY-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.44
Rot. Bonds4

About 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide

2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide (PubChem CID 112613129) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
PubChem CID112613129
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(F)cccc1CO
InChIInChI=1S/C10H12FNO3/c1-12-9(14)6-15-10-7(5-13)3-2-4-8(10)11/h2-4,13H,5-6H2,1H3,(H,12,14)
InChIKeyUMUCQNQMWQNPLY-UHFFFAOYSA-N
XLogP0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylbutanamide
CID 112613187
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
(E)-3-[3-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 112614281
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N,N-dimethylbutanamide
CID 112613189
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide (CID 112613129) is 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide is CNC(=O)COc1c(F)cccc1CO.
What is the InChIKey of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide?
The InChIKey is UMUCQNQMWQNPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-12-9(14)6-15-10-7(5-13)3-2-4-8(10)11/h2-4,13H,5-6H2,1H3,(H,12,14).
What are the key properties of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide?
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide has a molecular weight of 213.21 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 112613129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).