2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide

C11H14FNO2 — CID 151305447

IUPAC2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(CO)c1)C(=O)CF
InChIInChI=1S/C11H14FNO2/c1-13(11(15)6-12)7-9-3-2-4-10(5-9)8-14/h2-5,14H,6-8H2,1H3
InChIKeyODHNSJGXTSBIHV-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.11
Rot. Bonds4

About 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide

2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide (PubChem CID 151305447) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide
PubChem CID151305447
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(CO)c1)C(=O)CF
InChIInChI=1S/C11H14FNO2/c1-13(11(15)6-12)7-9-3-2-4-10(5-9)8-14/h2-5,14H,6-8H2,1H3
InChIKeyODHNSJGXTSBIHV-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide (CID 151305447) is 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide is CN(Cc1cccc(CO)c1)C(=O)CF.
What is the InChIKey of 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide?
The InChIKey is ODHNSJGXTSBIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13(11(15)6-12)7-9-3-2-4-10(5-9)8-14/h2-5,14H,6-8H2,1H3.
What are the key properties of 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide?
2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide has a molecular weight of 211.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 151305447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).