1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane

C4H6Br2F4 — CID 158764810

IUPAC1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
SMILESCC.FC(F)(F)C(F)(Br)Br
InChIInChI=1S/C2Br2F4.C2H6/c3-1(4,5)2(6,7)8;1-2/h;1-2H3
InChIKeyIPCWFKVDXZJFOG-UHFFFAOYSA-N
MW289.89 g/mol
LogP3.99
Rot. Bonds

About 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane

1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane (PubChem CID 158764810) has the molecular formula C4H6Br2F4 and a molecular weight of 289.89 g/mol. Its IUPAC name is 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane.

Molecular Properties

Compound Name1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
PubChem CID158764810
Molecular FormulaC4H6Br2F4
Molecular Weight289.89 g/mol
Exact Mass287.88
IUPAC Name1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
SMILESCC.FC(F)(F)C(F)(Br)Br
InChIInChI=1S/C2Br2F4.C2H6/c3-1(4,5)2(6,7)8;1-2/h;1-2H3
InChIKeyIPCWFKVDXZJFOG-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.89
LogP ≤ 53.99
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

(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane
CID 95757028
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
1-bromo-1-chloro-1-fluoroethane
CID 57450899
2,2-difluoropropane;ethane
CID 144524394
4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene
CID 165446155
[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
CID 129322211
2-bromo-3-chloro-1,1,1,2-tetrafluoropropane
CID 175694504
2-bromo-2,3,3,3-tetrafluoropropan-1-ol
CID 13327478
1,1,3-tribromo-1,2,2,3,3-pentafluoropropane
CID 15186175
[bromo(difluoro)methyl]-dimethylsilane
CID 174103865
[bromo(difluoro)methyl]-trimethylsilane
CID 14639950

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane?
The IUPAC name of 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane (CID 158764810) is 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane.
What is the SMILES notation for 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane?
The canonical SMILES for 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane is CC.FC(F)(F)C(F)(Br)Br.
What is the InChIKey of 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane?
The InChIKey is IPCWFKVDXZJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Br2F4.C2H6/c3-1(4,5)2(6,7)8;1-2/h;1-2H3.
What are the key properties of 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane?
1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane has a molecular weight of 289.89 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane is sourced from PubChem (CID 158764810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).