trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane

C8H10BrF4I — CID 10023205

IUPACtrans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane
SMILESFC(F)(Br)C(F)(F)[C@H]1CCCC[C@@H]1I
InChIInChI=1S/C8H10BrF4I/c9-8(12,13)7(10,11)5-3-1-2-4-6(5)14/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyKGDRVJHWSDVQEK-WDSKDSINSA-N
MW388.97 g/mol
LogP4.60
Rot. Bonds2

About trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane

trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane (PubChem CID 10023205) has the molecular formula C8H10BrF4I and a molecular weight of 388.97 g/mol. Its IUPAC name is trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane
PubChem CID10023205
Molecular FormulaC8H10BrF4I
Molecular Weight388.97 g/mol
Exact Mass387.89
IUPAC Nametrans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane
SMILESFC(F)(Br)C(F)(F)[C@H]1CCCC[C@@H]1I
InChIInChI=1S/C8H10BrF4I/c9-8(12,13)7(10,11)5-3-1-2-4-6(5)14/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyKGDRVJHWSDVQEK-WDSKDSINSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.97
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane
CID 2774939
1-iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclooctane
CID 153324225
trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane
CID 10949042
1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane
CID 11122870
1-iodo-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cycloheptane
CID 152540110
1-iodo-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclooctane
CID 151430843
(2-bromo-1,1,2,2-tetrafluoroethyl)cyclohexane
CID 557964
1-iodo-2-(1,1,2,3,3-pentafluoroprop-2-enyl)cyclohexane
CID 15033845
trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane
CID 14387267
1-chloro-2-iodocyclooctane
CID 74820924
1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 59850826
1-bromo-2,3-diiodocycloheptane
CID 122583573

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane?
The IUPAC name of trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane (CID 10023205) is trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane.
What is the SMILES notation for trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane?
The canonical SMILES for trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane is FC(F)(Br)C(F)(F)[C@H]1CCCC[C@@H]1I.
What is the InChIKey of trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane?
The InChIKey is KGDRVJHWSDVQEK-WDSKDSINSA-N. The full InChI is InChI=1S/C8H10BrF4I/c9-8(12,13)7(10,11)5-3-1-2-4-6(5)14/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane?
trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane has a molecular weight of 388.97 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(2-bromo-1,1,2,2-tetrafluoroethyl)-2-iodocyclohexane is sourced from PubChem (CID 10023205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).