1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene

C8H4BrF5 — CID 46738078

IUPAC1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESFC(F)(F)C(F)(F)c1ccccc1Br
InChIInChI=1S/C8H4BrF5/c9-6-4-2-1-3-5(6)7(10,11)8(12,13)14/h1-4H
InChIKeyOLKGHFZDSFJNBZ-UHFFFAOYSA-N
MW275.01 g/mol
LogP4.10
Rot. Bonds1

About 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene

1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene (PubChem CID 46738078) has the molecular formula C8H4BrF5 and a molecular weight of 275.01 g/mol. Its IUPAC name is 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene
PubChem CID46738078
Molecular FormulaC8H4BrF5
Molecular Weight275.01 g/mol
Exact Mass273.94
IUPAC Name1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene
SMILESFC(F)(F)C(F)(F)c1ccccc1Br
InChIInChI=1S/C8H4BrF5/c9-6-4-2-1-3-5(6)7(10,11)8(12,13)14/h1-4H
InChIKeyOLKGHFZDSFJNBZ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.01
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene?
The IUPAC name of 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene (CID 46738078) is 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene.
What is the SMILES notation for 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene?
The canonical SMILES for 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene is FC(F)(F)C(F)(F)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene?
The InChIKey is OLKGHFZDSFJNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5/c9-6-4-2-1-3-5(6)7(10,11)8(12,13)14/h1-4H.
What are the key properties of 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene?
1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene has a molecular weight of 275.01 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1,1,2,2,2-pentafluoroethyl)benzene is sourced from PubChem (CID 46738078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).