1,1,1-trichloro-5-iodopentane

C5H8Cl3I — CID 86189887

IUPAC1,1,1-trichloro-5-iodopentane
SMILESClC(Cl)(Cl)CCCCI
InChIInChI=1S/C5H8Cl3I/c6-5(7,8)3-1-2-4-9/h1-4H2
InChIKeyUJRQIWUSDZGTAJ-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.96
Rot. Bonds3

About 1,1,1-trichloro-5-iodopentane

1,1,1-trichloro-5-iodopentane (PubChem CID 86189887) has the molecular formula C5H8Cl3I and a molecular weight of 301.38 g/mol. Its IUPAC name is 1,1,1-trichloro-5-iodopentane.

Molecular Properties

Compound Name1,1,1-trichloro-5-iodopentane
PubChem CID86189887
Molecular FormulaC5H8Cl3I
Molecular Weight301.38 g/mol
Exact Mass299.87
IUPAC Name1,1,1-trichloro-5-iodopentane
SMILESClC(Cl)(Cl)CCCCI
InChIInChI=1S/C5H8Cl3I/c6-5(7,8)3-1-2-4-9/h1-4H2
InChIKeyUJRQIWUSDZGTAJ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Tri-chloro-4-iodobutane
CID 54308813
1,1,1-Trichloro-7-iodoheptane
CID 129807009
1,1-Dichloro-5-iodopentane
CID 85570187
Dichloroiodane
CID 129652537
1,1,1-Trichloro-3-iodobutane
CID 71430091
2-Chloro-2-iodopentane
CID 117997977
1,1,1-Trichloro-6-iodohexane
CID 138596662
1,1-Dichloro-4-iodocyclohexane
CID 169128979
1,1-Dichloro-1-iodopentane
CID 175223668
1,1,1-Trichloro-3-iodoheptane
CID 13698529

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trichloro-5-iodopentane?
The IUPAC name of 1,1,1-trichloro-5-iodopentane (CID 86189887) is 1,1,1-trichloro-5-iodopentane.
What is the SMILES notation for 1,1,1-trichloro-5-iodopentane?
The canonical SMILES for 1,1,1-trichloro-5-iodopentane is ClC(Cl)(Cl)CCCCI.
What is the InChIKey of 1,1,1-trichloro-5-iodopentane?
The InChIKey is UJRQIWUSDZGTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl3I/c6-5(7,8)3-1-2-4-9/h1-4H2.
What are the key properties of 1,1,1-trichloro-5-iodopentane?
1,1,1-trichloro-5-iodopentane has a molecular weight of 301.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-5-iodopentane is sourced from PubChem (CID 86189887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).