2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide

C10H10F3NO2 — CID 67489578

IUPAC2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO2/c1-14(4-5-15)10(16)6-2-3-7(11)9(13)8(6)12/h2-3,15H,4-5H2,1H3
InChIKeyJJRLKWBKZFIDEA-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.17
Rot. Bonds3

About 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide

2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 67489578) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID67489578
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO2/c1-14(4-5-15)10(16)6-2-3-7(11)9(13)8(6)12/h2-3,15H,4-5H2,1H3
InChIKeyJJRLKWBKZFIDEA-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide (CID 67489578) is 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is JJRLKWBKZFIDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14(4-5-15)10(16)6-2-3-7(11)9(13)8(6)12/h2-3,15H,4-5H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide?
2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 233.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 67489578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).