1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane

C8BrF15 — CID 54014587

IUPAC1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Br)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8BrF15/c9-1(10)2(11,12)4(15,16)6(19,20)8(23,24)7(21,22)5(17,18)3(1,13)14
InChIKeyKUSMROKTQDRBNC-UHFFFAOYSA-N
MW460.96 g/mol
LogP5.51
Rot. Bonds

About 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane

1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane (PubChem CID 54014587) has the molecular formula C8BrF15 and a molecular weight of 460.96 g/mol. Its IUPAC name is 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane.

Molecular Properties

Compound Name1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane
PubChem CID54014587
Molecular FormulaC8BrF15
Molecular Weight460.96 g/mol
Exact Mass459.89
IUPAC Name1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Br)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8BrF15/c9-1(10)2(11,12)4(15,16)6(19,20)8(23,24)7(21,22)5(17,18)3(1,13)14
InChIKeyKUSMROKTQDRBNC-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.96
LogP ≤ 55.51
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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Related Compounds

Perfluorooctyl bromide
CID 9873
Perfluorodecyl bromide
CID 9389
Nonadecafluorononyl Bromide
CID 2776260
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
CID 14993428
Perfluoroundecyl bromide
CID 14993427
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluorotetradecane
CID 14993429
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane;1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane
CID 89155393
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane;tetrafluoromethane
CID 132145416
2-Bromo-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane
CID 141048736
2-Bromo-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
CID 141295524
2-Bromo-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
CID 141296848
Perfluorotridecyl bromide
CID 2776384

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane?
The IUPAC name of 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane (CID 54014587) is 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane.
What is the SMILES notation for 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane?
The canonical SMILES for 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane is FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Br)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane?
The InChIKey is KUSMROKTQDRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8BrF15/c9-1(10)2(11,12)4(15,16)6(19,20)8(23,24)7(21,22)5(17,18)3(1,13)14.
What are the key properties of 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane?
1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane has a molecular weight of 460.96 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorocyclooctane is sourced from PubChem (CID 54014587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).