6,6,6-trifluoro-4-iodohexan-1-ol

C6H10F3IO — CID 14364468

IUPAC6,6,6-trifluoro-4-iodohexan-1-ol
SMILESOCCCC(I)CC(F)(F)F
InChIInChI=1S/C6H10F3IO/c7-6(8,9)4-5(10)2-1-3-11/h5,11H,1-4H2
InChIKeyAZUKEQDCYNXDRY-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.51
Rot. Bonds4

About 6,6,6-trifluoro-4-iodohexan-1-ol

6,6,6-trifluoro-4-iodohexan-1-ol (PubChem CID 14364468) has the molecular formula C6H10F3IO and a molecular weight of 282.04 g/mol. Its IUPAC name is 6,6,6-trifluoro-4-iodohexan-1-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-4-iodohexan-1-ol
PubChem CID14364468
Molecular FormulaC6H10F3IO
Molecular Weight282.04 g/mol
Exact Mass281.97
IUPAC Name6,6,6-trifluoro-4-iodohexan-1-ol
SMILESOCCCC(I)CC(F)(F)F
InChIInChI=1S/C6H10F3IO/c7-6(8,9)4-5(10)2-1-3-11/h5,11H,1-4H2
InChIKeyAZUKEQDCYNXDRY-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.51
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 6,6,6-trifluoro-4-iodohexan-1-ol?
The IUPAC name of 6,6,6-trifluoro-4-iodohexan-1-ol (CID 14364468) is 6,6,6-trifluoro-4-iodohexan-1-ol.
What is the SMILES notation for 6,6,6-trifluoro-4-iodohexan-1-ol?
The canonical SMILES for 6,6,6-trifluoro-4-iodohexan-1-ol is OCCCC(I)CC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-4-iodohexan-1-ol?
The InChIKey is AZUKEQDCYNXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3IO/c7-6(8,9)4-5(10)2-1-3-11/h5,11H,1-4H2.
What are the key properties of 6,6,6-trifluoro-4-iodohexan-1-ol?
6,6,6-trifluoro-4-iodohexan-1-ol has a molecular weight of 282.04 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-4-iodohexan-1-ol is sourced from PubChem (CID 14364468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).