1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane

C5H8F3IO — CID 162554288

IUPAC1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane
SMILESCOC(C)(CI)C(F)(F)F
InChIInChI=1S/C5H8F3IO/c1-4(3-9,10-2)5(6,7)8/h3H2,1-2H3
InChIKeyHVOLDPQXKYAZPZ-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.39
Rot. Bonds2

About 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane

1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane (PubChem CID 162554288) has the molecular formula C5H8F3IO and a molecular weight of 268.02 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane
PubChem CID162554288
Molecular FormulaC5H8F3IO
Molecular Weight268.02 g/mol
Exact Mass267.96
IUPAC Name1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane
SMILESCOC(C)(CI)C(F)(F)F
InChIInChI=1S/C5H8F3IO/c1-4(3-9,10-2)5(6,7)8/h3H2,1-2H3
InChIKeyHVOLDPQXKYAZPZ-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.02
LogP ≤ 52.39
H-Bond Donors ≤ 50
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 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane?
The IUPAC name of 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane (CID 162554288) is 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane.
What is the SMILES notation for 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane?
The canonical SMILES for 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane is COC(C)(CI)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane?
The InChIKey is HVOLDPQXKYAZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3IO/c1-4(3-9,10-2)5(6,7)8/h3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane?
1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane has a molecular weight of 268.02 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-iodo-2-methoxy-2-methylpropane is sourced from PubChem (CID 162554288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).