1,1,1,3,3,3-hexafluoro-2-iodopropane

C3HF6I — CID 14292223

IUPAC1,1,1,3,3,3-hexafluoro-2-iodopropane
SMILESFC(F)(F)C(I)C(F)(F)F
InChIInChI=1S/C3HF6I/c4-2(5,6)1(10)3(7,8)9/h1H
InChIKeyKQSPFAXUTMJXCT-UHFFFAOYSA-N
MW277.93 g/mol
LogP2.91
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2-iodopropane

1,1,1,3,3,3-hexafluoro-2-iodopropane (PubChem CID 14292223) has the molecular formula C3HF6I and a molecular weight of 277.93 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-iodopropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-iodopropane
PubChem CID14292223
Molecular FormulaC3HF6I
Molecular Weight277.93 g/mol
Exact Mass277.90
IUPAC Name1,1,1,3,3,3-hexafluoro-2-iodopropane
SMILESFC(F)(F)C(I)C(F)(F)F
InChIInChI=1S/C3HF6I/c4-2(5,6)1(10)3(7,8)9/h1H
InChIKeyKQSPFAXUTMJXCT-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.93
LogP ≤ 52.91
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 1,1,1,3,3,3-hexafluoro-2-iodopropane 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 1,1,1,3,3,3-hexafluoro-2-iodopropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-iodopropane (CID 14292223) is 1,1,1,3,3,3-hexafluoro-2-iodopropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-iodopropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-iodopropane is FC(F)(F)C(I)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-iodopropane?
The InChIKey is KQSPFAXUTMJXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6I/c4-2(5,6)1(10)3(7,8)9/h1H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-iodopropane?
1,1,1,3,3,3-hexafluoro-2-iodopropane has a molecular weight of 277.93 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-iodopropane is sourced from PubChem (CID 14292223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).