3-(1,1-difluoro-2-hydroxyethyl)benzamide

C9H9F2NO2 — CID 123186030

IUPAC3-(1,1-difluoro-2-hydroxyethyl)benzamide
SMILESNC(=O)c1cccc(C(F)(F)CO)c1
InChIInChI=1S/C9H9F2NO2/c10-9(11,5-13)7-3-1-2-6(4-7)8(12)14/h1-4,13H,5H2,(H2,12,14)
InChIKeyOSCUKNUMQOMRLO-UHFFFAOYSA-N
MW201.17 g/mol
LogP0.87
Rot. Bonds3

About 3-(1,1-difluoro-2-hydroxyethyl)benzamide

3-(1,1-difluoro-2-hydroxyethyl)benzamide (PubChem CID 123186030) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(1,1-difluoro-2-hydroxyethyl)benzamide
PubChem CID123186030
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name3-(1,1-difluoro-2-hydroxyethyl)benzamide
SMILESNC(=O)c1cccc(C(F)(F)CO)c1
InChIInChI=1S/C9H9F2NO2/c10-9(11,5-13)7-3-1-2-6(4-7)8(12)14/h1-4,13H,5H2,(H2,12,14)
InChIKeyOSCUKNUMQOMRLO-UHFFFAOYSA-N
XLogP0.87
TPSA63.32 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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-hydroxyethyl)benzamide?
The IUPAC name of 3-(1,1-difluoro-2-hydroxyethyl)benzamide (CID 123186030) is 3-(1,1-difluoro-2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(1,1-difluoro-2-hydroxyethyl)benzamide?
The canonical SMILES for 3-(1,1-difluoro-2-hydroxyethyl)benzamide is NC(=O)c1cccc(C(F)(F)CO)c1.
What is the InChIKey of 3-(1,1-difluoro-2-hydroxyethyl)benzamide?
The InChIKey is OSCUKNUMQOMRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11,5-13)7-3-1-2-6(4-7)8(12)14/h1-4,13H,5H2,(H2,12,14).
What are the key properties of 3-(1,1-difluoro-2-hydroxyethyl)benzamide?
3-(1,1-difluoro-2-hydroxyethyl)benzamide has a molecular weight of 201.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-hydroxyethyl)benzamide is sourced from PubChem (CID 123186030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).