5-bromo-1,1,1,2,3,3-hexafluoropentane

C5H5BrF6 — CID 154143021

IUPAC5-bromo-1,1,1,2,3,3-hexafluoropentane
SMILESFC(C(F)(F)F)C(F)(F)CCBr
InChIInChI=1S/C5H5BrF6/c6-2-1-4(8,9)3(7)5(10,11)12/h3H,1-2H2
InChIKeyTVCBBKFDBKUKHO-UHFFFAOYSA-N
MW258.99 g/mol
LogP3.31
Rot. Bonds3

About 5-bromo-1,1,1,2,3,3-hexafluoropentane

5-bromo-1,1,1,2,3,3-hexafluoropentane (PubChem CID 154143021) has the molecular formula C5H5BrF6 and a molecular weight of 258.99 g/mol. Its IUPAC name is 5-bromo-1,1,1,2,3,3-hexafluoropentane.

Molecular Properties

Compound Name5-bromo-1,1,1,2,3,3-hexafluoropentane
PubChem CID154143021
Molecular FormulaC5H5BrF6
Molecular Weight258.99 g/mol
Exact Mass257.95
IUPAC Name5-bromo-1,1,1,2,3,3-hexafluoropentane
SMILESFC(C(F)(F)F)C(F)(F)CCBr
InChIInChI=1S/C5H5BrF6/c6-2-1-4(8,9)3(7)5(10,11)12/h3H,1-2H2
InChIKeyTVCBBKFDBKUKHO-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.99
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,1,1,2,3,3-hexafluoropentane?
The IUPAC name of 5-bromo-1,1,1,2,3,3-hexafluoropentane (CID 154143021) is 5-bromo-1,1,1,2,3,3-hexafluoropentane.
What is the SMILES notation for 5-bromo-1,1,1,2,3,3-hexafluoropentane?
The canonical SMILES for 5-bromo-1,1,1,2,3,3-hexafluoropentane is FC(C(F)(F)F)C(F)(F)CCBr.
What is the InChIKey of 5-bromo-1,1,1,2,3,3-hexafluoropentane?
The InChIKey is TVCBBKFDBKUKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF6/c6-2-1-4(8,9)3(7)5(10,11)12/h3H,1-2H2.
What are the key properties of 5-bromo-1,1,1,2,3,3-hexafluoropentane?
5-bromo-1,1,1,2,3,3-hexafluoropentane has a molecular weight of 258.99 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,1,1,2,3,3-hexafluoropentane is sourced from PubChem (CID 154143021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).