(2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide

C5H6ClF4NO2 — CID 7039204

IUPAC(2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide
SMILESO=C(NCCO)[C@](F)(Cl)C(F)(F)F
InChIInChI=1S/C5H6ClF4NO2/c6-4(7,5(8,9)10)3(13)11-1-2-12/h12H,1-2H2,(H,11,13)/t4-/m1/s1
InChIKeyMGVYQAPJBMLSJG-SCSAIBSYSA-N
MW223.55 g/mol
LogP0.56
Rot. Bonds3

About (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide

(2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide (PubChem CID 7039204) has the molecular formula C5H6ClF4NO2 and a molecular weight of 223.55 g/mol. Its IUPAC name is (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide
PubChem CID7039204
Molecular FormulaC5H6ClF4NO2
Molecular Weight223.55 g/mol
Exact Mass223.00
IUPAC Name(2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide
SMILESO=C(NCCO)[C@](F)(Cl)C(F)(F)F
InChIInChI=1S/C5H6ClF4NO2/c6-4(7,5(8,9)10)3(13)11-1-2-12/h12H,1-2H2,(H,11,13)/t4-/m1/s1
InChIKeyMGVYQAPJBMLSJG-SCSAIBSYSA-N
XLogP0.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.55
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide?
The IUPAC name of (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide (CID 7039204) is (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide is O=C(NCCO)[C@](F)(Cl)C(F)(F)F.
What is the InChIKey of (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide?
The InChIKey is MGVYQAPJBMLSJG-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6ClF4NO2/c6-4(7,5(8,9)10)3(13)11-1-2-12/h12H,1-2H2,(H,11,13)/t4-/m1/s1.
What are the key properties of (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide?
(2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide has a molecular weight of 223.55 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 7039204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).