2,4,4,4-tetrachloro-1,1,1-trifluorobutane

C4H3Cl4F3 — CID 58915594

IUPAC2,4,4,4-tetrachloro-1,1,1-trifluorobutane
SMILESFC(F)(F)C(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C4H3Cl4F3/c5-2(4(9,10)11)1-3(6,7)8/h2H,1H2
InChIKeyMYZZPNNFUICKCT-UHFFFAOYSA-N
MW249.87 g/mol
LogP3.92
Rot. Bonds1

About 2,4,4,4-tetrachloro-1,1,1-trifluorobutane

2,4,4,4-tetrachloro-1,1,1-trifluorobutane (PubChem CID 58915594) has the molecular formula C4H3Cl4F3 and a molecular weight of 249.87 g/mol. Its IUPAC name is 2,4,4,4-tetrachloro-1,1,1-trifluorobutane.

Molecular Properties

Compound Name2,4,4,4-tetrachloro-1,1,1-trifluorobutane
PubChem CID58915594
Molecular FormulaC4H3Cl4F3
Molecular Weight249.87 g/mol
Exact Mass247.89
IUPAC Name2,4,4,4-tetrachloro-1,1,1-trifluorobutane
SMILESFC(F)(F)C(Cl)CC(Cl)(Cl)Cl
InChIInChI=1S/C4H3Cl4F3/c5-2(4(9,10)11)1-3(6,7)8/h2H,1H2
InChIKeyMYZZPNNFUICKCT-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.87
LogP ≤ 53.92
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

2,2,4-trichloro-1,1,1,5,5,5-hexafluoropentane
CID 168864628
3,5,5-trichloro-1,1,1,2,2,6,6,6-octafluorohexane
CID 177190739
1,1,3-trichloro-1,3-difluoropropane
CID 23295392
1,1,1,3-tetrachloropentane
CID 13227610
1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane
CID 119097203
1,1,1-trichloro-6,6,6-trifluoro-3-methylhexane
CID 174826458
6,8,8,8-tetrachloro-5-(hydroxymethyl)-5-methyl-3-oxooctanoic acid
CID 88763948
5,7,7,7-tetrachloro-4,4-dimethylheptanoic acid
CID 88786161
(3,5,5,5-tetrachloro-2-methylpentan-2-yl) dihydrogen phosphate
CID 54000646
carbamothioic S-acid;1,1,1,3-tetrachloro-4,4-dimethylhexane
CID 88763879
dichloro-methyl-(1,3,3,3-tetrachloropropyl)silane
CID 12527128
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220

Frequently Asked Questions

What is the IUPAC name of 2,4,4,4-tetrachloro-1,1,1-trifluorobutane?
The IUPAC name of 2,4,4,4-tetrachloro-1,1,1-trifluorobutane (CID 58915594) is 2,4,4,4-tetrachloro-1,1,1-trifluorobutane.
What is the SMILES notation for 2,4,4,4-tetrachloro-1,1,1-trifluorobutane?
The canonical SMILES for 2,4,4,4-tetrachloro-1,1,1-trifluorobutane is FC(F)(F)C(Cl)CC(Cl)(Cl)Cl.
What is the InChIKey of 2,4,4,4-tetrachloro-1,1,1-trifluorobutane?
The InChIKey is MYZZPNNFUICKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl4F3/c5-2(4(9,10)11)1-3(6,7)8/h2H,1H2.
What are the key properties of 2,4,4,4-tetrachloro-1,1,1-trifluorobutane?
2,4,4,4-tetrachloro-1,1,1-trifluorobutane has a molecular weight of 249.87 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,4-tetrachloro-1,1,1-trifluorobutane is sourced from PubChem (CID 58915594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).