4,4-difluoro-2-iodopentan-1-ol

C5H9F2IO — CID 59024466

IUPAC4,4-difluoro-2-iodopentan-1-ol
SMILESCC(F)(F)CC(I)CO
InChIInChI=1S/C5H9F2IO/c1-5(6,7)2-4(8)3-9/h4,9H,2-3H2,1H3
InChIKeyGMPZQKOMHNBKKQ-UHFFFAOYSA-N
MW250.03 g/mol
LogP1.83
Rot. Bonds3

About 4,4-difluoro-2-iodopentan-1-ol

4,4-difluoro-2-iodopentan-1-ol (PubChem CID 59024466) has the molecular formula C5H9F2IO and a molecular weight of 250.03 g/mol. Its IUPAC name is 4,4-difluoro-2-iodopentan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-2-iodopentan-1-ol
PubChem CID59024466
Molecular FormulaC5H9F2IO
Molecular Weight250.03 g/mol
Exact Mass249.97
IUPAC Name4,4-difluoro-2-iodopentan-1-ol
SMILESCC(F)(F)CC(I)CO
InChIInChI=1S/C5H9F2IO/c1-5(6,7)2-4(8)3-9/h4,9H,2-3H2,1H3
InChIKeyGMPZQKOMHNBKKQ-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.03
LogP ≤ 51.83
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 4,4-difluoro-2-iodopentan-1-ol?
The IUPAC name of 4,4-difluoro-2-iodopentan-1-ol (CID 59024466) is 4,4-difluoro-2-iodopentan-1-ol.
What is the SMILES notation for 4,4-difluoro-2-iodopentan-1-ol?
The canonical SMILES for 4,4-difluoro-2-iodopentan-1-ol is CC(F)(F)CC(I)CO.
What is the InChIKey of 4,4-difluoro-2-iodopentan-1-ol?
The InChIKey is GMPZQKOMHNBKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2IO/c1-5(6,7)2-4(8)3-9/h4,9H,2-3H2,1H3.
What are the key properties of 4,4-difluoro-2-iodopentan-1-ol?
4,4-difluoro-2-iodopentan-1-ol has a molecular weight of 250.03 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-iodopentan-1-ol is sourced from PubChem (CID 59024466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).