2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane

C4Br3Cl3F4 — CID 175096082

IUPAC2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane
SMILESFC(F)(F)C(F)(Br)C(Br)(Br)C(Cl)(Cl)Cl
InChIInChI=1S/C4Br3Cl3F4/c5-1(6,3(8,9)10)2(7,11)4(12,13)14
InChIKeyPHEPFUFQVSCOEF-UHFFFAOYSA-N
MW470.11 g/mol
LogP5.47
Rot. Bonds1

About 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane

2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane (PubChem CID 175096082) has the molecular formula C4Br3Cl3F4 and a molecular weight of 470.11 g/mol. Its IUPAC name is 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane.

Molecular Properties

Compound Name2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane
PubChem CID175096082
Molecular FormulaC4Br3Cl3F4
Molecular Weight470.11 g/mol
Exact Mass465.66
IUPAC Name2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane
SMILESFC(F)(F)C(F)(Br)C(Br)(Br)C(Cl)(Cl)Cl
InChIInChI=1S/C4Br3Cl3F4/c5-1(6,3(8,9)10)2(7,11)4(12,13)14
InChIKeyPHEPFUFQVSCOEF-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.11
LogP ≤ 55.47
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

3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane
CID 23236256
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane
CID 154151123
1,2-dibromo-1,1-dichloro-2,2-difluoroethane
CID 2773960
1-bromo-1-chloro-1-fluoroethane
CID 57450899
2-bromo-3-chloro-1,1,1,2-tetrafluoropropane
CID 175694504
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane
CID 71436852
1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
CID 2773961
(1S,3R)-1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
CID 95036366
bromo(trichloro)methane
CID 6383
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689

Frequently Asked Questions

What is the IUPAC name of 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane?
The IUPAC name of 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane (CID 175096082) is 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane.
What is the SMILES notation for 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane?
The canonical SMILES for 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane is FC(F)(F)C(F)(Br)C(Br)(Br)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane?
The InChIKey is PHEPFUFQVSCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Br3Cl3F4/c5-1(6,3(8,9)10)2(7,11)4(12,13)14.
What are the key properties of 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane?
2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane has a molecular weight of 470.11 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane is sourced from PubChem (CID 175096082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).