2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one

C5BrF7O — CID 10589480

IUPAC2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one
SMILESO=C1C(F)(F)C(F)(F)C(F)(F)C1(F)Br
InChIInChI=1S/C5BrF7O/c6-2(7)1(14)3(8,9)5(12,13)4(2,10)11
InChIKeyNGTJUMDGAQPSJP-UHFFFAOYSA-N
MW288.94 g/mol
LogP2.54
Rot. Bonds

About 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one

2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one (PubChem CID 10589480) has the molecular formula C5BrF7O and a molecular weight of 288.94 g/mol. Its IUPAC name is 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one.

Molecular Properties

Compound Name2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one
PubChem CID10589480
Molecular FormulaC5BrF7O
Molecular Weight288.94 g/mol
Exact Mass287.90
IUPAC Name2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one
SMILESO=C1C(F)(F)C(F)(F)C(F)(F)C1(F)Br
InChIInChI=1S/C5BrF7O/c6-2(7)1(14)3(8,9)5(12,13)4(2,10)11
InChIKeyNGTJUMDGAQPSJP-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.94
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-Bromo-1,1,1,2,4,4,5,5,5-nonafluoropentan-3-one
CID 21924018
Perfluoro-3-bromo-2-pentanone
CID 21924019
2-Bromo-1,1,1,2,4,4,5,5,6,6,6-undecafluorohexan-3-one
CID 86017168
1-Bromo-1,1,3,3,4,4,5,5,5-nonafluoropentan-2-one
CID 87932724

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one?
The IUPAC name of 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one (CID 10589480) is 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one.
What is the SMILES notation for 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one?
The canonical SMILES for 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one is O=C1C(F)(F)C(F)(F)C(F)(F)C1(F)Br.
What is the InChIKey of 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one?
The InChIKey is NGTJUMDGAQPSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5BrF7O/c6-2(7)1(14)3(8,9)5(12,13)4(2,10)11.
What are the key properties of 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one?
2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one has a molecular weight of 288.94 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one is sourced from PubChem (CID 10589480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).