1,1,1-trifluoro-4-iodo-4-methylpentane

C6H10F3I — CID 162614405

IUPAC1,1,1-trifluoro-4-iodo-4-methylpentane
SMILESCC(C)(I)CCC(F)(F)F
InChIInChI=1S/C6H10F3I/c1-5(2,10)3-4-6(7,8)9/h3-4H2,1-2H3
InChIKeyUCTGMNYOAZMKOQ-UHFFFAOYSA-N
MW266.04 g/mol
LogP3.54
Rot. Bonds2

About 1,1,1-trifluoro-4-iodo-4-methylpentane

1,1,1-trifluoro-4-iodo-4-methylpentane (PubChem CID 162614405) has the molecular formula C6H10F3I and a molecular weight of 266.04 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-iodo-4-methylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-4-iodo-4-methylpentane
PubChem CID162614405
Molecular FormulaC6H10F3I
Molecular Weight266.04 g/mol
Exact Mass265.98
IUPAC Name1,1,1-trifluoro-4-iodo-4-methylpentane
SMILESCC(C)(I)CCC(F)(F)F
InChIInChI=1S/C6H10F3I/c1-5(2,10)3-4-6(7,8)9/h3-4H2,1-2H3
InChIKeyUCTGMNYOAZMKOQ-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 53.54
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'}

Analyze 1,1,1-trifluoro-4-iodo-4-methylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-iodo-4-methylpentane?
The IUPAC name of 1,1,1-trifluoro-4-iodo-4-methylpentane (CID 162614405) is 1,1,1-trifluoro-4-iodo-4-methylpentane.
What is the SMILES notation for 1,1,1-trifluoro-4-iodo-4-methylpentane?
The canonical SMILES for 1,1,1-trifluoro-4-iodo-4-methylpentane is CC(C)(I)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-iodo-4-methylpentane?
The InChIKey is UCTGMNYOAZMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3I/c1-5(2,10)3-4-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-iodo-4-methylpentane?
1,1,1-trifluoro-4-iodo-4-methylpentane has a molecular weight of 266.04 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-iodo-4-methylpentane is sourced from PubChem (CID 162614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).