(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane

C8H11BrF4 — CID 557964

IUPAC(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane
SMILESFC(F)(Br)C(F)(F)C1CCCCC1
InChIInChI=1S/C8H11BrF4/c9-8(12,13)7(10,11)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyKNEIYQIJSHZQHH-UHFFFAOYSA-N
MW263.07 g/mol
LogP4.19
Rot. Bonds2

About (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane

(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane (PubChem CID 557964) has the molecular formula C8H11BrF4 and a molecular weight of 263.07 g/mol. Its IUPAC name is (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane.

Molecular Properties

Compound Name(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane
PubChem CID557964
Molecular FormulaC8H11BrF4
Molecular Weight263.07 g/mol
Exact Mass262.00
IUPAC Name(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane
SMILESFC(F)(Br)C(F)(F)C1CCCCC1
InChIInChI=1S/C8H11BrF4/c9-8(12,13)7(10,11)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyKNEIYQIJSHZQHH-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 54.19
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 (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane?
The IUPAC name of (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane (CID 557964) is (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane.
What is the SMILES notation for (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane?
The canonical SMILES for (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane is FC(F)(Br)C(F)(F)C1CCCCC1.
What is the InChIKey of (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane?
The InChIKey is KNEIYQIJSHZQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrF4/c9-8(12,13)7(10,11)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane?
(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane has a molecular weight of 263.07 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane is sourced from PubChem (CID 557964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).