[(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane

C12H14ClF8I — CID 125476127

IUPAC[(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C1CCCCC1
InChIInChI=1S/C12H14ClF8I/c13-12(20,21)11(18,19)10(16,17)9(14,15)6-8(22)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m1/s1
InChIKeyUGRWYHAKRZJJQE-MRVPVSSYSA-N
MW472.59 g/mol
LogP6.50
Rot. Bonds6

About [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane

[(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane (PubChem CID 125476127) has the molecular formula C12H14ClF8I and a molecular weight of 472.59 g/mol. Its IUPAC name is [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane.

Molecular Properties

Compound Name[(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane
PubChem CID125476127
Molecular FormulaC12H14ClF8I
Molecular Weight472.59 g/mol
Exact Mass471.97
IUPAC Name[(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C1CCCCC1
InChIInChI=1S/C12H14ClF8I/c13-12(20,21)11(18,19)10(16,17)9(14,15)6-8(22)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m1/s1
InChIKeyUGRWYHAKRZJJQE-MRVPVSSYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.50
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

(1,3-dibromo-3,3-difluoropropyl)cyclohexane
CID 10519701
2-cyclopentyl-2-iodoethanamine
CID 134195934
1-cyclopentyl-3,3,3-trifluoropropan-1-ol
CID 61392890
1-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-2-iodocyclopentane
CID 11122870
3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol
CID 105460342
4-chloro-N-cyclooctyl-2,2,3,3,4,4-hexafluorobutanamide
CID 4125332
[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
CID 95049167
(1-cyclohexyl-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-yl) 2-methylbutanoate
CID 155323524
(1-cyclohexyl-2-fluoroethyl)cyclohexane
CID 162165643
5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol
CID 75406208
[chloro(fluoro)methyl]cyclohexane
CID 134937924
4-cyclohexyl-1,1,1,2-tetrafluoropentan-2-ol
CID 59760753

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane?
The IUPAC name of [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane (CID 125476127) is [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane.
What is the SMILES notation for [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane?
The canonical SMILES for [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane is FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C1CCCCC1.
What is the InChIKey of [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane?
The InChIKey is UGRWYHAKRZJJQE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClF8I/c13-12(20,21)11(18,19)10(16,17)9(14,15)6-8(22)7-4-2-1-3-5-7/h7-8H,1-6H2/t8-/m1/s1.
What are the key properties of [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane?
[(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane has a molecular weight of 472.59 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane is sourced from PubChem (CID 125476127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).