2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide

C6H8ClF2NO3 — CID 130674365

IUPAC2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
SMILESO=C(NC1COCC1O)C(F)(F)Cl
InChIInChI=1S/C6H8ClF2NO3/c7-6(8,9)5(12)10-3-1-13-2-4(3)11/h3-4,11H,1-2H2,(H,10,12)
InChIKeyJNAYITFSKMTYRE-UHFFFAOYSA-N
MW215.58 g/mol
LogP-0.31
Rot. Bonds2

About 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide

2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide (PubChem CID 130674365) has the molecular formula C6H8ClF2NO3 and a molecular weight of 215.58 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
PubChem CID130674365
Molecular FormulaC6H8ClF2NO3
Molecular Weight215.58 g/mol
Exact Mass215.02
IUPAC Name2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
SMILESO=C(NC1COCC1O)C(F)(F)Cl
InChIInChI=1S/C6H8ClF2NO3/c7-6(8,9)5(12)10-3-1-13-2-4(3)11/h3-4,11H,1-2H2,(H,10,12)
InChIKeyJNAYITFSKMTYRE-UHFFFAOYSA-N
XLogP-0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.58
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-methyl-2-morpholin-4-ylpropanamide
CID 131916649
2-hydroxy-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130676245
2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide
CID 130884598
2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide
CID 130718570
N-(4-hydroxyoxolan-3-yl)propanamide
CID 130659329
2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid
CID 165466451
N-[(3R,4S)-4-hydroxyoxolan-3-yl]pyrrolidine-3-carboxamide
CID 130688496
trans-(1R,2R)-2-[(2-chloro-2,2-difluoroacetyl)amino]-N-methylcyclohexane-1-carboxamide
CID 99697543
N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide
CID 131140597

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide (CID 130674365) is 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide is O=C(NC1COCC1O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide?
The InChIKey is JNAYITFSKMTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2NO3/c7-6(8,9)5(12)10-3-1-13-2-4(3)11/h3-4,11H,1-2H2,(H,10,12).
What are the key properties of 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide?
2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide has a molecular weight of 215.58 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide is sourced from PubChem (CID 130674365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).