methyl N-(1,2,2,2-tetrachloroethylidene)carbamate

C4H3Cl4NO2 — CID 73186639

IUPACmethyl N-(1,2,2,2-tetrachloroethylidene)carbamate
SMILESCOC(=O)N=C(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4H3Cl4NO2/c1-11-3(10)9-2(5)4(6,7)8/h1H3
InChIKeyQXUFJLJUXBJUGK-UHFFFAOYSA-N
MW238.88 g/mol
LogP2.76
Rot. Bonds

About methyl N-(1,2,2,2-tetrachloroethylidene)carbamate

methyl N-(1,2,2,2-tetrachloroethylidene)carbamate (PubChem CID 73186639) has the molecular formula C4H3Cl4NO2 and a molecular weight of 238.88 g/mol. Its IUPAC name is methyl N-(1,2,2,2-tetrachloroethylidene)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2,2,2-tetrachloroethylidene)carbamate
PubChem CID73186639
Molecular FormulaC4H3Cl4NO2
Molecular Weight238.88 g/mol
Exact Mass236.89
IUPAC Namemethyl N-(1,2,2,2-tetrachloroethylidene)carbamate
SMILESCOC(=O)N=C(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4H3Cl4NO2/c1-11-3(10)9-2(5)4(6,7)8/h1H3
InChIKeyQXUFJLJUXBJUGK-UHFFFAOYSA-N
XLogP2.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.88
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2,2,2-tetrachloroethylidene)carbamate?
The IUPAC name of methyl N-(1,2,2,2-tetrachloroethylidene)carbamate (CID 73186639) is methyl N-(1,2,2,2-tetrachloroethylidene)carbamate.
What is the SMILES notation for methyl N-(1,2,2,2-tetrachloroethylidene)carbamate?
The canonical SMILES for methyl N-(1,2,2,2-tetrachloroethylidene)carbamate is COC(=O)N=C(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of methyl N-(1,2,2,2-tetrachloroethylidene)carbamate?
The InChIKey is QXUFJLJUXBJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl4NO2/c1-11-3(10)9-2(5)4(6,7)8/h1H3.
What are the key properties of methyl N-(1,2,2,2-tetrachloroethylidene)carbamate?
methyl N-(1,2,2,2-tetrachloroethylidene)carbamate has a molecular weight of 238.88 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2,2,2-tetrachloroethylidene)carbamate is sourced from PubChem (CID 73186639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).