trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane

C7H10F2I2 — CID 10949042

IUPACtrans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane
SMILESFC(F)(I)[C@@H]1CCCC[C@H]1I
InChIInChI=1S/C7H10F2I2/c8-7(9,11)5-3-1-2-4-6(5)10/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyWEZGYVLJSWERLS-PHDIDXHHSA-N
MW385.96 g/mol
LogP4.01
Rot. Bonds1

About trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane

trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane (PubChem CID 10949042) has the molecular formula C7H10F2I2 and a molecular weight of 385.96 g/mol. Its IUPAC name is trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane
PubChem CID10949042
Molecular FormulaC7H10F2I2
Molecular Weight385.96 g/mol
Exact Mass385.88
IUPAC Nametrans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane
SMILESFC(F)(I)[C@@H]1CCCC[C@H]1I
InChIInChI=1S/C7H10F2I2/c8-7(9,11)5-3-1-2-4-6(5)10/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyWEZGYVLJSWERLS-PHDIDXHHSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 54.01
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'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane?
The IUPAC name of trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane (CID 10949042) is trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane?
The canonical SMILES for trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane is FC(F)(I)[C@@H]1CCCC[C@H]1I.
What is the InChIKey of trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane?
The InChIKey is WEZGYVLJSWERLS-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H10F2I2/c8-7(9,11)5-3-1-2-4-6(5)10/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane?
trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane has a molecular weight of 385.96 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-[difluoro(iodo)methyl]-2-iodocyclohexane is sourced from PubChem (CID 10949042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).