1,1,3,3-tetrafluoro-1-iodopropane

C3H3F4I — CID 129244940

IUPAC1,1,3,3-tetrafluoro-1-iodopropane
SMILESFC(F)CC(F)(F)I
InChIInChI=1S/C3H3F4I/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyBMFKNMDSPGMMTO-UHFFFAOYSA-N
MW241.95 g/mol
LogP2.67
Rot. Bonds2

About 1,1,3,3-tetrafluoro-1-iodopropane

1,1,3,3-tetrafluoro-1-iodopropane (PubChem CID 129244940) has the molecular formula C3H3F4I and a molecular weight of 241.95 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-1-iodopropane.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-1-iodopropane
PubChem CID129244940
Molecular FormulaC3H3F4I
Molecular Weight241.95 g/mol
Exact Mass241.92
IUPAC Name1,1,3,3-tetrafluoro-1-iodopropane
SMILESFC(F)CC(F)(F)I
InChIInChI=1S/C3H3F4I/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyBMFKNMDSPGMMTO-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.95
LogP ≤ 52.67
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 1,1,3,3-tetrafluoro-1-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 1,1,3,3-tetrafluoro-1-iodopropane?
The IUPAC name of 1,1,3,3-tetrafluoro-1-iodopropane (CID 129244940) is 1,1,3,3-tetrafluoro-1-iodopropane.
What is the SMILES notation for 1,1,3,3-tetrafluoro-1-iodopropane?
The canonical SMILES for 1,1,3,3-tetrafluoro-1-iodopropane is FC(F)CC(F)(F)I.
What is the InChIKey of 1,1,3,3-tetrafluoro-1-iodopropane?
The InChIKey is BMFKNMDSPGMMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F4I/c4-2(5)1-3(6,7)8/h2H,1H2.
What are the key properties of 1,1,3,3-tetrafluoro-1-iodopropane?
1,1,3,3-tetrafluoro-1-iodopropane has a molecular weight of 241.95 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-1-iodopropane is sourced from PubChem (CID 129244940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).