butane;tetrachloromethane

C5H10Cl4 — CID 175704167

IUPACbutane;tetrachloromethane
SMILESCCCC.ClC(Cl)(Cl)Cl
InChIInChI=1S/C4H10.CCl4/c1-3-4-2;2-1(3,4)5/h3-4H2,1-2H3;
InChIKeyFFYWQJPRDNIHEW-UHFFFAOYSA-N
MW211.95 g/mol
LogP4.36
Rot. Bonds1

About butane;tetrachloromethane

butane;tetrachloromethane (PubChem CID 175704167) has the molecular formula C5H10Cl4 and a molecular weight of 211.95 g/mol. Its IUPAC name is butane;tetrachloromethane.

Molecular Properties

Compound Namebutane;tetrachloromethane
PubChem CID175704167
Molecular FormulaC5H10Cl4
Molecular Weight211.95 g/mol
Exact Mass209.95
IUPAC Namebutane;tetrachloromethane
SMILESCCCC.ClC(Cl)(Cl)Cl
InChIInChI=1S/C4H10.CCl4/c1-3-4-2;2-1(3,4)5/h3-4H2,1-2H3;
InChIKeyFFYWQJPRDNIHEW-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.95
LogP ≤ 54.36
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

CID 19010369
CID 19010369
CID 21584008
CID 21584008
CID 21934958
CID 21934958
CID 22480796
CID 22480796
CID 87228397
CID 87228397
CID 88372538
CID 88372538
CID 139707894
CID 139707894
CID 141013314
CID 141013314
CID 141225461
CID 141225461
CID 156895066
CID 156895066
CID 157104556
CID 157104556
CID 157237401
CID 157237401

Frequently Asked Questions

What is the IUPAC name of butane;tetrachloromethane?
The IUPAC name of butane;tetrachloromethane (CID 175704167) is butane;tetrachloromethane.
What is the SMILES notation for butane;tetrachloromethane?
The canonical SMILES for butane;tetrachloromethane is CCCC.ClC(Cl)(Cl)Cl.
What is the InChIKey of butane;tetrachloromethane?
The InChIKey is FFYWQJPRDNIHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.CCl4/c1-3-4-2;2-1(3,4)5/h3-4H2,1-2H3;.
What are the key properties of butane;tetrachloromethane?
butane;tetrachloromethane has a molecular weight of 211.95 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;tetrachloromethane is sourced from PubChem (CID 175704167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).