2,2,2-trichloro-N-(2-methylpropyl)acetamide

C6H10Cl3NO — CID 3804772

IUPAC2,2,2-trichloro-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H10Cl3NO/c1-4(2)3-10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyNDMSFHUQCYYLAI-UHFFFAOYSA-N
MW218.51 g/mol
LogP2.13
Rot. Bonds2

About 2,2,2-trichloro-N-(2-methylpropyl)acetamide

2,2,2-trichloro-N-(2-methylpropyl)acetamide (PubChem CID 3804772) has the molecular formula C6H10Cl3NO and a molecular weight of 218.51 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-methylpropyl)acetamide
PubChem CID3804772
Molecular FormulaC6H10Cl3NO
Molecular Weight218.51 g/mol
Exact Mass216.98
IUPAC Name2,2,2-trichloro-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H10Cl3NO/c1-4(2)3-10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyNDMSFHUQCYYLAI-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,2-trichloro-N-(2-methylpropyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-methylpropyl)acetamide (CID 3804772) is 2,2,2-trichloro-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(2-methylpropyl)acetamide?
The InChIKey is NDMSFHUQCYYLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl3NO/c1-4(2)3-10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2,2,2-trichloro-N-(2-methylpropyl)acetamide?
2,2,2-trichloro-N-(2-methylpropyl)acetamide has a molecular weight of 218.51 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 3804772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).