4-[difluoro(iodo)methyl]cyclohexan-1-ol

C7H11F2IO — CID 126757509

IUPAC4-[difluoro(iodo)methyl]cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)I)CC1
InChIInChI=1S/C7H11F2IO/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2
InChIKeyMKQLRRIKKLDJLB-UHFFFAOYSA-N
MW276.06 g/mol
LogP2.57
Rot. Bonds1

About 4-[difluoro(iodo)methyl]cyclohexan-1-ol

4-[difluoro(iodo)methyl]cyclohexan-1-ol (PubChem CID 126757509) has the molecular formula C7H11F2IO and a molecular weight of 276.06 g/mol. Its IUPAC name is 4-[difluoro(iodo)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[difluoro(iodo)methyl]cyclohexan-1-ol
PubChem CID126757509
Molecular FormulaC7H11F2IO
Molecular Weight276.06 g/mol
Exact Mass275.98
IUPAC Name4-[difluoro(iodo)methyl]cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)I)CC1
InChIInChI=1S/C7H11F2IO/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2
InChIKeyMKQLRRIKKLDJLB-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.06
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-[difluoro(iodo)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[difluoro(iodo)methyl]cyclohexan-1-ol (CID 126757509) is 4-[difluoro(iodo)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[difluoro(iodo)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[difluoro(iodo)methyl]cyclohexan-1-ol is OC1CCC(C(F)(F)I)CC1.
What is the InChIKey of 4-[difluoro(iodo)methyl]cyclohexan-1-ol?
The InChIKey is MKQLRRIKKLDJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2IO/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2.
What are the key properties of 4-[difluoro(iodo)methyl]cyclohexan-1-ol?
4-[difluoro(iodo)methyl]cyclohexan-1-ol has a molecular weight of 276.06 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(iodo)methyl]cyclohexan-1-ol is sourced from PubChem (CID 126757509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).