1-bromo-1,1,2,2,5,5,5-heptafluoropentane

C5H4BrF7 — CID 154324929

IUPAC1-bromo-1,1,2,2,5,5,5-heptafluoropentane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)Br
InChIInChI=1S/C5H4BrF7/c6-5(12,13)3(7,8)1-2-4(9,10)11/h1-2H2
InChIKeySOWYRMQJFYAAPF-UHFFFAOYSA-N
MW276.98 g/mol
LogP3.95
Rot. Bonds3

About 1-bromo-1,1,2,2,5,5,5-heptafluoropentane

1-bromo-1,1,2,2,5,5,5-heptafluoropentane (PubChem CID 154324929) has the molecular formula C5H4BrF7 and a molecular weight of 276.98 g/mol. Its IUPAC name is 1-bromo-1,1,2,2,5,5,5-heptafluoropentane.

Molecular Properties

Compound Name1-bromo-1,1,2,2,5,5,5-heptafluoropentane
PubChem CID154324929
Molecular FormulaC5H4BrF7
Molecular Weight276.98 g/mol
Exact Mass275.94
IUPAC Name1-bromo-1,1,2,2,5,5,5-heptafluoropentane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)Br
InChIInChI=1S/C5H4BrF7/c6-5(12,13)3(7,8)1-2-4(9,10)11/h1-2H2
InChIKeySOWYRMQJFYAAPF-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.98
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1,2,2,5,5,5-heptafluoropentane?
The IUPAC name of 1-bromo-1,1,2,2,5,5,5-heptafluoropentane (CID 154324929) is 1-bromo-1,1,2,2,5,5,5-heptafluoropentane.
What is the SMILES notation for 1-bromo-1,1,2,2,5,5,5-heptafluoropentane?
The canonical SMILES for 1-bromo-1,1,2,2,5,5,5-heptafluoropentane is FC(F)(F)CCC(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2,5,5,5-heptafluoropentane?
The InChIKey is SOWYRMQJFYAAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF7/c6-5(12,13)3(7,8)1-2-4(9,10)11/h1-2H2.
What are the key properties of 1-bromo-1,1,2,2,5,5,5-heptafluoropentane?
1-bromo-1,1,2,2,5,5,5-heptafluoropentane has a molecular weight of 276.98 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1,2,2,5,5,5-heptafluoropentane is sourced from PubChem (CID 154324929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).