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

C9H9F2NO2 — CID 103513898

IUPAC2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
SMILESO=C(Nc1ccccc1CO)C(F)F
InChIInChI=1S/C9H9F2NO2/c10-8(11)9(14)12-7-4-2-1-3-6(7)5-13/h1-4,8,13H,5H2,(H,12,14)
InChIKeyXDTICXLBUOGQLV-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.38
Rot. Bonds3

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

2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide (PubChem CID 103513898) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
PubChem CID103513898
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
SMILESO=C(Nc1ccccc1CO)C(F)F
InChIInChI=1S/C9H9F2NO2/c10-8(11)9(14)12-7-4-2-1-3-6(7)5-13/h1-4,8,13H,5H2,(H,12,14)
InChIKeyXDTICXLBUOGQLV-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
1-cyclopropyl-3-[2-(hydroxymethyl)phenyl]urea
CID 62699685
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide
CID 63680184
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide (CID 103513898) is 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide is O=C(Nc1ccccc1CO)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide?
The InChIKey is XDTICXLBUOGQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-8(11)9(14)12-7-4-2-1-3-6(7)5-13/h1-4,8,13H,5H2,(H,12,14).
What are the key properties of 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide?
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide has a molecular weight of 201.17 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 103513898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).