4-fluoro-2-iodo-4-methylpentan-1-ol

C6H12FIO — CID 87159300

IUPAC4-fluoro-2-iodo-4-methylpentan-1-ol
SMILESCC(C)(F)CC(I)CO
InChIInChI=1S/C6H12FIO/c1-6(2,7)3-5(8)4-9/h5,9H,3-4H2,1-2H3
InChIKeyZGLTWWQQNPATAX-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.92
Rot. Bonds3

About 4-fluoro-2-iodo-4-methylpentan-1-ol

4-fluoro-2-iodo-4-methylpentan-1-ol (PubChem CID 87159300) has the molecular formula C6H12FIO and a molecular weight of 246.06 g/mol. Its IUPAC name is 4-fluoro-2-iodo-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-fluoro-2-iodo-4-methylpentan-1-ol
PubChem CID87159300
Molecular FormulaC6H12FIO
Molecular Weight246.06 g/mol
Exact Mass245.99
IUPAC Name4-fluoro-2-iodo-4-methylpentan-1-ol
SMILESCC(C)(F)CC(I)CO
InChIInChI=1S/C6H12FIO/c1-6(2,7)3-5(8)4-9/h5,9H,3-4H2,1-2H3
InChIKeyZGLTWWQQNPATAX-UHFFFAOYSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.92
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-fluoro-2-iodo-4-methylpentan-1-ol?
The IUPAC name of 4-fluoro-2-iodo-4-methylpentan-1-ol (CID 87159300) is 4-fluoro-2-iodo-4-methylpentan-1-ol.
What is the SMILES notation for 4-fluoro-2-iodo-4-methylpentan-1-ol?
The canonical SMILES for 4-fluoro-2-iodo-4-methylpentan-1-ol is CC(C)(F)CC(I)CO.
What is the InChIKey of 4-fluoro-2-iodo-4-methylpentan-1-ol?
The InChIKey is ZGLTWWQQNPATAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FIO/c1-6(2,7)3-5(8)4-9/h5,9H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-2-iodo-4-methylpentan-1-ol?
4-fluoro-2-iodo-4-methylpentan-1-ol has a molecular weight of 246.06 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-4-methylpentan-1-ol is sourced from PubChem (CID 87159300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).