3,3,3-triiodoprop-1-yne

C3HI3 — CID 57294365

IUPAC3,3,3-triiodoprop-1-yne
SMILESC#CC(I)(I)I
InChIInChI=1S/C3HI3/c1-2-3(4,5)6/h1H
InChIKeyLZADVRWXACTCQX-UHFFFAOYSA-N
MW417.75 g/mol
LogP2.58
Rot. Bonds

About 3,3,3-triiodoprop-1-yne

3,3,3-triiodoprop-1-yne (PubChem CID 57294365) has the molecular formula C3HI3 and a molecular weight of 417.75 g/mol. Its IUPAC name is 3,3,3-triiodoprop-1-yne.

Molecular Properties

Compound Name3,3,3-triiodoprop-1-yne
PubChem CID57294365
Molecular FormulaC3HI3
Molecular Weight417.75 g/mol
Exact Mass417.72
IUPAC Name3,3,3-triiodoprop-1-yne
SMILESC#CC(I)(I)I
InChIInChI=1S/C3HI3/c1-2-3(4,5)6/h1H
InChIKeyLZADVRWXACTCQX-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.75
LogP ≤ 52.58
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-triiodoprop-1-yne?
The IUPAC name of 3,3,3-triiodoprop-1-yne (CID 57294365) is 3,3,3-triiodoprop-1-yne.
What is the SMILES notation for 3,3,3-triiodoprop-1-yne?
The canonical SMILES for 3,3,3-triiodoprop-1-yne is C#CC(I)(I)I.
What is the InChIKey of 3,3,3-triiodoprop-1-yne?
The InChIKey is LZADVRWXACTCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HI3/c1-2-3(4,5)6/h1H.
What are the key properties of 3,3,3-triiodoprop-1-yne?
3,3,3-triiodoprop-1-yne has a molecular weight of 417.75 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-triiodoprop-1-yne is sourced from PubChem (CID 57294365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).