3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide

C10H11F2NO3 — CID 79888639

IUPAC3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
SMILESNC(=O)CCOc1c(F)cc(CO)cc1F
InChIInChI=1S/C10H11F2NO3/c11-7-3-6(5-14)4-8(12)10(7)16-2-1-9(13)15/h3-4,14H,1-2,5H2,(H2,13,15)
InChIKeyPBYZOLKQVYAUAH-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.71
Rot. Bonds5

About 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide

3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide (PubChem CID 79888639) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
PubChem CID79888639
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
SMILESNC(=O)CCOc1c(F)cc(CO)cc1F
InChIInChI=1S/C10H11F2NO3/c11-7-3-6(5-14)4-8(12)10(7)16-2-1-9(13)15/h3-4,14H,1-2,5H2,(H2,13,15)
InChIKeyPBYZOLKQVYAUAH-UHFFFAOYSA-N
XLogP0.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
3-[4-(3-amino-3-oxopropoxy)-3,5-difluorophenyl]prop-2-enoic acid
CID 79887511
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide
CID 82919002
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 79887799
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 79888650
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
CID 79888347
2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
CID 80694644
3-(4-amino-2,6-dichlorophenoxy)propanamide
CID 43169605
[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol
CID 79887877
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide (CID 79888639) is 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide is NC(=O)CCOc1c(F)cc(CO)cc1F.
What is the InChIKey of 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is PBYZOLKQVYAUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-7-3-6(5-14)4-8(12)10(7)16-2-1-9(13)15/h3-4,14H,1-2,5H2,(H2,13,15).
What are the key properties of 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide?
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 231.20 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 79888639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).