2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C10H10ClF2NO2 — CID 40562691

IUPAC2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(N[C@H](CO)c1ccccc1)C(F)(F)Cl
InChIInChI=1S/C10H10ClF2NO2/c11-10(12,13)9(16)14-8(6-15)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m1/s1
InChIKeyVKDYXSULSWZZCL-MRVPVSSYSA-N
MW249.64 g/mol
LogP1.67
Rot. Bonds4

About 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 40562691) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID40562691
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(N[C@H](CO)c1ccccc1)C(F)(F)Cl
InChIInChI=1S/C10H10ClF2NO2/c11-10(12,13)9(16)14-8(6-15)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m1/s1
InChIKeyVKDYXSULSWZZCL-MRVPVSSYSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2-amino-2-ethyl-N-(2-hydroxy-1-phenylethyl)butanamide
CID 79812629
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
CID 167776266
2,2,2-trichloroethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 101490832
2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863395
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 40562691) is 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is O=C(N[C@H](CO)c1ccccc1)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is VKDYXSULSWZZCL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c11-10(12,13)9(16)14-8(6-15)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m1/s1.
What are the key properties of 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 249.64 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 40562691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).