1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate

C4H5Cl4NO2 — CID 10354405

IUPAC1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate
SMILES[3H]CNC(=O)OC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4H5Cl4NO2/c1-9-3(10)11-2(5)4(6,7)8/h2H,1H3,(H,9,10)/i1T
InChIKeyYYUSRRCQGJTZGA-CNRUNOGKSA-N
MW242.91 g/mol
LogP2.28
Rot. Bonds2

About 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate

1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate (PubChem CID 10354405) has the molecular formula C4H5Cl4NO2 and a molecular weight of 242.91 g/mol. Its IUPAC name is 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate.

Molecular Properties

Compound Name1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate
PubChem CID10354405
Molecular FormulaC4H5Cl4NO2
Molecular Weight242.91 g/mol
Exact Mass240.92
IUPAC Name1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate
SMILES[3H]CNC(=O)OC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C4H5Cl4NO2/c1-9-3(10)11-2(5)4(6,7)8/h2H,1H3,(H,9,10)/i1T
InChIKeyYYUSRRCQGJTZGA-CNRUNOGKSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.91
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,2,2-tetrachloroethyl carbonochloridate
CID 2733327
1,2,2,2-tetrachloroethyl 2,2,2-trichloroacetate
CID 174517008
bis(1,2,2,2-tetrachloroethyl) (E)-but-2-enedioate
CID 88803570
phenyl 1,2,2,2-tetrachloroethyl carbonate
CID 67688124
(1,1,1-trichloro-3-methoxypropan-2-yl) N-methylcarbamate
CID 117059544
1,2,2,2-tetrachloroethyl N-(oxomethylidene)carbamate
CID 57189263
methyl (2S)-2,3,3,3-tetrachloropropanoate
CID 5324933
1,3-dimethyl-1-(1,2,2,2-tetrachloroethyl)urea
CID 12906099
1-methyl-3-(1,2,2,2-tetrachloroethyl)urea
CID 13349766
1,1,1-trichloropropan-2-yl 2-chloropropanoate
CID 12613756
bis(1-chloro-2,2-dimethylpropyl) carbonate
CID 87652790
1-hydroxyethyl N-methylcarbamate
CID 21270273

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate?
The IUPAC name of 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate (CID 10354405) is 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate.
What is the SMILES notation for 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate?
The canonical SMILES for 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate is [3H]CNC(=O)OC(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate?
The InChIKey is YYUSRRCQGJTZGA-CNRUNOGKSA-N. The full InChI is InChI=1S/C4H5Cl4NO2/c1-9-3(10)11-2(5)4(6,7)8/h2H,1H3,(H,9,10)/i1T.
What are the key properties of 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate?
1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate has a molecular weight of 242.91 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrachloroethyl N-(tritiomethyl)carbamate is sourced from PubChem (CID 10354405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).