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

C4H6F3I — CID 542746

IUPAC1,1,1-trifluoro-3-iodo-2-methylpropane
SMILESCC(CI)C(F)(F)F
InChIInChI=1S/C4H6F3I/c1-3(2-8)4(5,6)7/h3H,2H2,1H3
InChIKeyUEEFSGKHKKFYRL-UHFFFAOYSA-N
MW237.99 g/mol
LogP2.62
Rot. Bonds1

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

1,1,1-trifluoro-3-iodo-2-methylpropane (PubChem CID 542746) has the molecular formula C4H6F3I and a molecular weight of 237.99 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-iodo-2-methylpropane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-iodo-2-methylpropane
PubChem CID542746
Molecular FormulaC4H6F3I
Molecular Weight237.99 g/mol
Exact Mass237.95
IUPAC Name1,1,1-trifluoro-3-iodo-2-methylpropane
SMILESCC(CI)C(F)(F)F
InChIInChI=1S/C4H6F3I/c1-3(2-8)4(5,6)7/h3H,2H2,1H3
InChIKeyUEEFSGKHKKFYRL-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.99
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methylpropane?
The IUPAC name of 1,1,1-trifluoro-3-iodo-2-methylpropane (CID 542746) is 1,1,1-trifluoro-3-iodo-2-methylpropane.
What is the SMILES notation for 1,1,1-trifluoro-3-iodo-2-methylpropane?
The canonical SMILES for 1,1,1-trifluoro-3-iodo-2-methylpropane is CC(CI)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-iodo-2-methylpropane?
The InChIKey is UEEFSGKHKKFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3I/c1-3(2-8)4(5,6)7/h3H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-iodo-2-methylpropane?
1,1,1-trifluoro-3-iodo-2-methylpropane has a molecular weight of 237.99 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-iodo-2-methylpropane is sourced from PubChem (CID 542746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).