butane;trichloro(fluoro)methane

C5H10Cl3F — CID 159264115

IUPACbutane;trichloro(fluoro)methane
SMILESCCCC.FC(Cl)(Cl)Cl
InChIInChI=1S/C4H10.CCl3F/c1-3-4-2;2-1(3,4)5/h3-4H2,1-2H3;
InChIKeyKWWMXFQJUOCNSX-UHFFFAOYSA-N
MW195.49 g/mol
LogP4.09
Rot. Bonds1

About butane;trichloro(fluoro)methane

butane;trichloro(fluoro)methane (PubChem CID 159264115) has the molecular formula C5H10Cl3F and a molecular weight of 195.49 g/mol. Its IUPAC name is butane;trichloro(fluoro)methane.

Molecular Properties

Compound Namebutane;trichloro(fluoro)methane
PubChem CID159264115
Molecular FormulaC5H10Cl3F
Molecular Weight195.49 g/mol
Exact Mass193.98
IUPAC Namebutane;trichloro(fluoro)methane
SMILESCCCC.FC(Cl)(Cl)Cl
InChIInChI=1S/C4H10.CCl3F/c1-3-4-2;2-1(3,4)5/h3-4H2,1-2H3;
InChIKeyKWWMXFQJUOCNSX-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;trichloro(fluoro)methane 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

butane;tetrachloromethane
CID 175704167
butane;chloromethane
CID 23360987
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
CID 135365106
trichloro(fluoro)methane;hydrochloride
CID 88794151
2-chloro-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 89150301
1,2,2-trichloro-1,1-difluorobutane
CID 21119103
dichloro(difluoro)methane;methane;trichloro(fluoro)methane
CID 157345787
chloro(trifluoro)methane;ethane
CID 23131533
1,1,1-trichloro-2-fluoro-2-methylbutane
CID 88824769
butane;dihydrochloride
CID 19855579
argon;butane
CID 157343960
butane;methane
CID 158881067

Frequently Asked Questions

What is the IUPAC name of butane;trichloro(fluoro)methane?
The IUPAC name of butane;trichloro(fluoro)methane (CID 159264115) is butane;trichloro(fluoro)methane.
What is the SMILES notation for butane;trichloro(fluoro)methane?
The canonical SMILES for butane;trichloro(fluoro)methane is CCCC.FC(Cl)(Cl)Cl.
What is the InChIKey of butane;trichloro(fluoro)methane?
The InChIKey is KWWMXFQJUOCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.CCl3F/c1-3-4-2;2-1(3,4)5/h3-4H2,1-2H3;.
What are the key properties of butane;trichloro(fluoro)methane?
butane;trichloro(fluoro)methane has a molecular weight of 195.49 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;trichloro(fluoro)methane is sourced from PubChem (CID 159264115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).