trichloro(chloro)methane

CCl4 — CID 102463068

IUPACtrichloro(chloro)methane
SMILES[35Cl]C([37Cl])([37Cl])[37Cl]
InChIInChI=1S/CCl4/c2-1(3,4)5/i2+0,3+2,4+2,5+2
InChIKeyVZGDMQKNWNREIO-MMQJDBOISA-N
MW157.88 g/mol
LogP2.55
Rot. Bonds

About trichloro(chloro)methane

trichloro(chloro)methane (PubChem CID 102463068) has the molecular formula CCl4 and a molecular weight of 157.88 g/mol. Its IUPAC name is trichloro(chloro)methane.

Molecular Properties

Compound Nametrichloro(chloro)methane
PubChem CID102463068
Molecular FormulaCCl4
Molecular Weight157.88 g/mol
Exact Mass157.87
IUPAC Nametrichloro(chloro)methane
SMILES[35Cl]C([37Cl])([37Cl])[37Cl]
InChIInChI=1S/CCl4/c2-1(3,4)5/i2+0,3+2,4+2,5+2
InChIKeyVZGDMQKNWNREIO-MMQJDBOISA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.88
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrachloromethane;trihydrobromide
CID 172821605
tetrachloromethane;hexahydrofluoride
CID 172761965
tetrachloromethane;dihydrochloride
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N,1,1,1-tetrachloro-N-methylmethanamine
CID 174863987
potassium;tetrachloromethane;hydroxide
CID 159473553
trichloromethylstannane
CID 21117671
barium(2+);tetrachloromethane;dichloride
CID 141230689
acetylene;tetrachloromethane
CID 19386607
methane;tetrachloromethane;dihydrochloride
CID 173442667
bromo(trichloro)methane
CID 6383
1,1,1,2,2,2-hexachloroethane;tetrachloromethane
CID 87168985
N-methyl-N-(trichloromethyl)thiohydroxylamine
CID 88816877

Frequently Asked Questions

What is the IUPAC name of trichloro(chloro)methane?
The IUPAC name of trichloro(chloro)methane (CID 102463068) is trichloro(chloro)methane.
What is the SMILES notation for trichloro(chloro)methane?
The canonical SMILES for trichloro(chloro)methane is [35Cl]C([37Cl])([37Cl])[37Cl].
What is the InChIKey of trichloro(chloro)methane?
The InChIKey is VZGDMQKNWNREIO-MMQJDBOISA-N. The full InChI is InChI=1S/CCl4/c2-1(3,4)5/i2+0,3+2,4+2,5+2.
What are the key properties of trichloro(chloro)methane?
trichloro(chloro)methane has a molecular weight of 157.88 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(chloro)methane is sourced from PubChem (CID 102463068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).