(1S)-1,3-difluoro-2-iodocyclohexane

C6H9F2I — CID 166966688

IUPAC(1S)-1,3-difluoro-2-iodocyclohexane
SMILESFC1CCC[C@H](F)C1I
InChIInChI=1S/C6H9F2I/c7-4-2-1-3-5(8)6(4)9/h4-6H,1-3H2/t4-,5?,6?/m0/s1
InChIKeyVMLKMWRVEYPHHC-KXGSVCODSA-N
MW246.04 g/mol
LogP2.65
Rot. Bonds

About (1S)-1,3-difluoro-2-iodocyclohexane

(1S)-1,3-difluoro-2-iodocyclohexane (PubChem CID 166966688) has the molecular formula C6H9F2I and a molecular weight of 246.04 g/mol. Its IUPAC name is (1S)-1,3-difluoro-2-iodocyclohexane.

Molecular Properties

Compound Name(1S)-1,3-difluoro-2-iodocyclohexane
PubChem CID166966688
Molecular FormulaC6H9F2I
Molecular Weight246.04 g/mol
Exact Mass245.97
IUPAC Name(1S)-1,3-difluoro-2-iodocyclohexane
SMILESFC1CCC[C@H](F)C1I
InChIInChI=1S/C6H9F2I/c7-4-2-1-3-5(8)6(4)9/h4-6H,1-3H2/t4-,5?,6?/m0/s1
InChIKeyVMLKMWRVEYPHHC-KXGSVCODSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.04
LogP ≤ 52.65
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 (1S)-1,3-difluoro-2-iodocyclohexane?
The IUPAC name of (1S)-1,3-difluoro-2-iodocyclohexane (CID 166966688) is (1S)-1,3-difluoro-2-iodocyclohexane.
What is the SMILES notation for (1S)-1,3-difluoro-2-iodocyclohexane?
The canonical SMILES for (1S)-1,3-difluoro-2-iodocyclohexane is FC1CCC[C@H](F)C1I.
What is the InChIKey of (1S)-1,3-difluoro-2-iodocyclohexane?
The InChIKey is VMLKMWRVEYPHHC-KXGSVCODSA-N. The full InChI is InChI=1S/C6H9F2I/c7-4-2-1-3-5(8)6(4)9/h4-6H,1-3H2/t4-,5?,6?/m0/s1.
What are the key properties of (1S)-1,3-difluoro-2-iodocyclohexane?
(1S)-1,3-difluoro-2-iodocyclohexane has a molecular weight of 246.04 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,3-difluoro-2-iodocyclohexane is sourced from PubChem (CID 166966688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).