(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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Related Compounds

trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane
CID 10023205
1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
CID 90817555
(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
CID 176747969
7-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal
CID 10927754
tricyclohexylmethylsilane
CID 71348621
formaldehyde;methane;trifluoromethylcyclohexane
CID 142523059
[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
CID 95049167
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentane
CID 175402800
1,1-difluoroprop-2-enylcyclohexane
CID 67843312
[difluoro(methoxy)methyl]cyclohexane
CID 14491590
CID 173025587
CID 173025587
(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane
CID 149058767

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).