PBLMHNPRZBLFFE-UHFFFAOYSA-N

C₄H₅Cl₂F₂NO — CID 151425647

About PBLMHNPRZBLFFE-UHFFFAOYSA-N

PBLMHNPRZBLFFE-UHFFFAOYSA-N (PubChem CID 151425647) has the molecular formula C₄H₅Cl₂F₂NO and a molecular weight of 191.99 g/mol. Its IUPAC name is N-(1,1-dichloroethyl)-2,2-difluoroacetamide.

Molecular Properties

• Compound Name: PBLMHNPRZBLFFE-UHFFFAOYSA-N
• PubChem CID: 151425647
• Molecular Formula: C₄H₅Cl₂F₂NO
• Molecular Weight: 191.99 g/mol
• Exact Mass: 190.97
• IUPAC Name: N-(1,1-dichloroethyl)-2,2-difluoroacetamide
• SMILES: CC(Cl)(Cl)NC(=O)C(F)F
• InChI: InChI=1S/C4H5Cl2F2NO/c1-4(5,6)9-3(10)2(7)8/h2H,1H3,(H,9,10)
• InChIKey: PBLMHNPRZBLFFE-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.99
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of PBLMHNPRZBLFFE-UHFFFAOYSA-N?

The IUPAC name of PBLMHNPRZBLFFE-UHFFFAOYSA-N (CID 151425647) is N-(1,1-dichloroethyl)-2,2-difluoroacetamide.

What is the SMILES notation for PBLMHNPRZBLFFE-UHFFFAOYSA-N?

The canonical SMILES for PBLMHNPRZBLFFE-UHFFFAOYSA-N is CC(Cl)(Cl)NC(=O)C(F)F.

What is the InChIKey of PBLMHNPRZBLFFE-UHFFFAOYSA-N?

The InChIKey is PBLMHNPRZBLFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2F2NO/c1-4(5,6)9-3(10)2(7)8/h2H,1H3,(H,9,10).

What are the key properties of PBLMHNPRZBLFFE-UHFFFAOYSA-N?

PBLMHNPRZBLFFE-UHFFFAOYSA-N has a molecular weight of 191.99 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for PBLMHNPRZBLFFE-UHFFFAOYSA-N is sourced from PubChem (CID 151425647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151425647 — identifiers, structure, computed properties (public domain)

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