N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide

C10H11F2NO2 — CID 118212468

IUPACN-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(F)c(CO)cc1F
InChIInChI=1S/C10H11F2NO2/c1-6(15)13-4-7-2-10(12)8(5-14)3-9(7)11/h2-3,14H,4-5H2,1H3,(H,13,15)
InChIKeyGOTWDXUDNHYPPU-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.09
Rot. Bonds3

About N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide

N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 118212468) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID118212468
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC NameN-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(F)c(CO)cc1F
InChIInChI=1S/C10H11F2NO2/c1-6(15)13-4-7-2-10(12)8(5-14)3-9(7)11/h2-3,14H,4-5H2,1H3,(H,13,15)
InChIKeyGOTWDXUDNHYPPU-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide (CID 118212468) is N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide is CC(=O)NCc1cc(F)c(CO)cc1F.
What is the InChIKey of N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is GOTWDXUDNHYPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6(15)13-4-7-2-10(12)8(5-14)3-9(7)11/h2-3,14H,4-5H2,1H3,(H,13,15).
What are the key properties of N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide?
N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 215.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 118212468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).