methane;1-nitroethane;tetrachloromethane

C4H9Cl4NO2 — CID 158148344

IUPACmethane;1-nitroethane;tetrachloromethane
SMILESC.CC[N+](=O)[O-].ClC(Cl)(Cl)Cl
InChIInChI=1S/C2H5NO2.CCl4.CH4/c1-2-3(4)5;2-1(3,4)5;/h2H2,1H3;;1H4
InChIKeyFCVFZFXMLSKSHZ-UHFFFAOYSA-N
MW244.93 g/mol
LogP3.47
Rot. Bonds1

About methane;1-nitroethane;tetrachloromethane

methane;1-nitroethane;tetrachloromethane (PubChem CID 158148344) has the molecular formula C4H9Cl4NO2 and a molecular weight of 244.93 g/mol. Its IUPAC name is methane;1-nitroethane;tetrachloromethane.

Molecular Properties

Compound Namemethane;1-nitroethane;tetrachloromethane
PubChem CID158148344
Molecular FormulaC4H9Cl4NO2
Molecular Weight244.93 g/mol
Exact Mass242.94
IUPAC Namemethane;1-nitroethane;tetrachloromethane
SMILESC.CC[N+](=O)[O-].ClC(Cl)(Cl)Cl
InChIInChI=1S/C2H5NO2.CCl4.CH4/c1-2-3(4)5;2-1(3,4)5;/h2H2,1H3;;1H4
InChIKeyFCVFZFXMLSKSHZ-UHFFFAOYSA-N
XLogP3.47
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.93
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methane;1-nitroethane;tetrachloromethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;1-nitroethane;tetrachloromethane?
The IUPAC name of methane;1-nitroethane;tetrachloromethane (CID 158148344) is methane;1-nitroethane;tetrachloromethane.
What is the SMILES notation for methane;1-nitroethane;tetrachloromethane?
The canonical SMILES for methane;1-nitroethane;tetrachloromethane is C.CC[N+](=O)[O-].ClC(Cl)(Cl)Cl.
What is the InChIKey of methane;1-nitroethane;tetrachloromethane?
The InChIKey is FCVFZFXMLSKSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.CCl4.CH4/c1-2-3(4)5;2-1(3,4)5;/h2H2,1H3;;1H4.
What are the key properties of methane;1-nitroethane;tetrachloromethane?
methane;1-nitroethane;tetrachloromethane has a molecular weight of 244.93 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-nitroethane;tetrachloromethane is sourced from PubChem (CID 158148344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).