2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide

C11H14FNO3 — CID 112613193

IUPAC2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide
SMILESCCC(Oc1c(F)cccc1CO)C(N)=O
InChIInChI=1S/C11H14FNO3/c1-2-9(11(13)15)16-10-7(6-14)4-3-5-8(10)12/h3-5,9,14H,2,6H2,1H3,(H2,13,15)
InChIKeyGYYXCXOQXLTXAD-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.96
Rot. Bonds5

About 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide

2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide (PubChem CID 112613193) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide
PubChem CID112613193
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide
SMILESCCC(Oc1c(F)cccc1CO)C(N)=O
InChIInChI=1S/C11H14FNO3/c1-2-9(11(13)15)16-10-7(6-14)4-3-5-8(10)12/h3-5,9,14H,2,6H2,1H3,(H2,13,15)
InChIKeyGYYXCXOQXLTXAD-UHFFFAOYSA-N
XLogP0.96
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
CID 112612856
2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
CID 115955247
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
(E)-3-[2-(1-amino-1-oxobutan-2-yl)oxy-3-fluorophenyl]prop-2-enoic acid
CID 112614291
(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
CID 175850225
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
2-(3-aminophenoxy)butanamide
CID 62901524
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057775

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide?
The IUPAC name of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide (CID 112613193) is 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide.
What is the SMILES notation for 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide?
The canonical SMILES for 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide is CCC(Oc1c(F)cccc1CO)C(N)=O.
What is the InChIKey of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide?
The InChIKey is GYYXCXOQXLTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-2-9(11(13)15)16-10-7(6-14)4-3-5-8(10)12/h3-5,9,14H,2,6H2,1H3,(H2,13,15).
What are the key properties of 2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide?
2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide has a molecular weight of 227.23 g/mol, XLogP of 0.96, 5 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]butanamide is sourced from PubChem (CID 112613193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).