3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane

C4BrCl3F6 — CID 23236256

IUPAC3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane
SMILESFC(F)(F)C(F)(Br)C(F)(F)C(Cl)(Cl)Cl
InChIInChI=1S/C4BrCl3F6/c5-1(9,4(12,13)14)2(10,11)3(6,7)8
InChIKeyFVWBJTOFOCEDBL-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.61
Rot. Bonds1

About 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane

3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane (PubChem CID 23236256) has the molecular formula C4BrCl3F6 and a molecular weight of 348.30 g/mol. Its IUPAC name is 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane.

Molecular Properties

Compound Name3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane
PubChem CID23236256
Molecular FormulaC4BrCl3F6
Molecular Weight348.30 g/mol
Exact Mass345.82
IUPAC Name3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane
SMILESFC(F)(F)C(F)(Br)C(F)(F)C(Cl)(Cl)Cl
InChIInChI=1S/C4BrCl3F6/c5-1(9,4(12,13)14)2(10,11)3(6,7)8
InChIKeyFVWBJTOFOCEDBL-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.61
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

2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane
CID 175096082
2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane
CID 154151123
1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane
CID 15921925
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
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
2,4-dibromo-5-chloro-2,3,3,4,5,6,6,6-octafluorohexanoic acid
CID 170873602
3-bromo-2,2,3,4,4,4-hexafluorobutanoyl fluoride
CID 12060805
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
(2S,4R,5S)-2,4-dibromo-5-chloro-2,3,3,4,5,6,6,6-octafluorohexanenitrile
CID 98155748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane?
The IUPAC name of 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane (CID 23236256) is 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane.
What is the SMILES notation for 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane?
The canonical SMILES for 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane is FC(F)(F)C(F)(Br)C(F)(F)C(Cl)(Cl)Cl.
What is the InChIKey of 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane?
The InChIKey is FVWBJTOFOCEDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BrCl3F6/c5-1(9,4(12,13)14)2(10,11)3(6,7)8.
What are the key properties of 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane?
3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane has a molecular weight of 348.30 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane is sourced from PubChem (CID 23236256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).