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

C6H8Cl3NO — CID 19044809

IUPAC2,2,2-trichloro-N-(cyclopropylmethyl)acetamide
SMILESO=C(NCC1CC1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl3NO/c7-6(8,9)5(11)10-3-4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyWUKFVNDXRWHRMJ-UHFFFAOYSA-N
MW216.49 g/mol
LogP1.88
Rot. Bonds2

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

2,2,2-trichloro-N-(cyclopropylmethyl)acetamide (PubChem CID 19044809) has the molecular formula C6H8Cl3NO and a molecular weight of 216.49 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(cyclopropylmethyl)acetamide
PubChem CID19044809
Molecular FormulaC6H8Cl3NO
Molecular Weight216.49 g/mol
Exact Mass214.97
IUPAC Name2,2,2-trichloro-N-(cyclopropylmethyl)acetamide
SMILESO=C(NCC1CC1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H8Cl3NO/c7-6(8,9)5(11)10-3-4-1-2-4/h4H,1-3H2,(H,10,11)
InChIKeyWUKFVNDXRWHRMJ-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.49
LogP ≤ 51.88
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-(cyclopropylmethyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(cyclopropylmethyl)acetamide (CID 19044809) is 2,2,2-trichloro-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(cyclopropylmethyl)acetamide is O=C(NCC1CC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(cyclopropylmethyl)acetamide?
The InChIKey is WUKFVNDXRWHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl3NO/c7-6(8,9)5(11)10-3-4-1-2-4/h4H,1-3H2,(H,10,11).
What are the key properties of 2,2,2-trichloro-N-(cyclopropylmethyl)acetamide?
2,2,2-trichloro-N-(cyclopropylmethyl)acetamide has a molecular weight of 216.49 g/mol, XLogP of 1.88, 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 19044809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).