3,4-dibromo-1,1,1,2,3-pentafluorobutane

C4H3Br2F5 — CID 162536508

IUPAC3,4-dibromo-1,1,1,2,3-pentafluorobutane
SMILESFC(C(F)(F)F)C(F)(Br)CBr
InChIInChI=1S/C4H3Br2F5/c5-1-3(6,8)2(7)4(9,10)11/h2H,1H2
InChIKeyYARIDYQTOBULRD-UHFFFAOYSA-N
MW305.87 g/mol
LogP3.34
Rot. Bonds2

About 3,4-dibromo-1,1,1,2,3-pentafluorobutane

3,4-dibromo-1,1,1,2,3-pentafluorobutane (PubChem CID 162536508) has the molecular formula C4H3Br2F5 and a molecular weight of 305.87 g/mol. Its IUPAC name is 3,4-dibromo-1,1,1,2,3-pentafluorobutane.

Molecular Properties

Compound Name3,4-dibromo-1,1,1,2,3-pentafluorobutane
PubChem CID162536508
Molecular FormulaC4H3Br2F5
Molecular Weight305.87 g/mol
Exact Mass303.85
IUPAC Name3,4-dibromo-1,1,1,2,3-pentafluorobutane
SMILESFC(C(F)(F)F)C(F)(Br)CBr
InChIInChI=1S/C4H3Br2F5/c5-1-3(6,8)2(7)4(9,10)11/h2H,1H2
InChIKeyYARIDYQTOBULRD-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.87
LogP ≤ 53.34
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

5-bromo-1,1,1,2,3,3-hexafluoropentane
CID 154143021
(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
1,1,1,2,3,3,4,5-octafluoropentane
CID 86184237
1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
CID 158764810
1-(2,3-dibromo-1-butoxy-2-fluoropropoxy)butane
CID 15600788
1,1,1,2,3,3-hexafluoro-3-(1,1,3,3,3-pentafluoropropoxy)propane
CID 175373278
3,3,4,5,5,5-hexafluoropentyl(trimethyl)azanium iodide
CID 121234441
1,1,2,3,3,3-hexafluoropropan-1-ol;silane
CID 174461418
3-chloro-1,1,1,2-tetrafluoropropane
CID 166072722
(2R)-4-[bis[(3R)-2,2,3,4,4,4-hexafluorobutoxy]methoxy]-1,1,1,2,3,3-hexafluorobutane
CID 99769513
2,3-dibromo-1,1,2,3,4,4-hexafluorobutane
CID 171780319

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1,1,1,2,3-pentafluorobutane?
The IUPAC name of 3,4-dibromo-1,1,1,2,3-pentafluorobutane (CID 162536508) is 3,4-dibromo-1,1,1,2,3-pentafluorobutane.
What is the SMILES notation for 3,4-dibromo-1,1,1,2,3-pentafluorobutane?
The canonical SMILES for 3,4-dibromo-1,1,1,2,3-pentafluorobutane is FC(C(F)(F)F)C(F)(Br)CBr.
What is the InChIKey of 3,4-dibromo-1,1,1,2,3-pentafluorobutane?
The InChIKey is YARIDYQTOBULRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2F5/c5-1-3(6,8)2(7)4(9,10)11/h2H,1H2.
What are the key properties of 3,4-dibromo-1,1,1,2,3-pentafluorobutane?
3,4-dibromo-1,1,1,2,3-pentafluorobutane has a molecular weight of 305.87 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1,1,1,2,3-pentafluorobutane is sourced from PubChem (CID 162536508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).