2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

C11H10ClF2NO2 — CID 86817065

IUPAC2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(NC1CCc2c(O)cccc21)C(F)(F)Cl
InChIInChI=1S/C11H10ClF2NO2/c12-11(13,14)10(17)15-8-5-4-7-6(8)2-1-3-9(7)16/h1-3,8,16H,4-5H2,(H,15,17)
InChIKeyHZDVJMIIVGQXMX-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.33
Rot. Bonds2

About 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 86817065) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID86817065
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(NC1CCc2c(O)cccc21)C(F)(F)Cl
InChIInChI=1S/C11H10ClF2NO2/c12-11(13,14)10(17)15-8-5-4-7-6(8)2-1-3-9(7)16/h1-3,8,16H,4-5H2,(H,15,17)
InChIKeyHZDVJMIIVGQXMX-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (CID 86817065) is 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is O=C(NC1CCc2c(O)cccc21)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is HZDVJMIIVGQXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-11(13,14)10(17)15-8-5-4-7-6(8)2-1-3-9(7)16/h1-3,8,16H,4-5H2,(H,15,17).
What are the key properties of 2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
2-chloro-2,2-difluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 261.65 g/mol, XLogP of 2.33, 2 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-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 86817065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).