1,1,1-trichloro-6-iodohexane

C6H10Cl3I — CID 138596662

IUPAC1,1,1-trichloro-6-iodohexane
SMILESClC(Cl)(Cl)CCCCCI
InChIInChI=1S/C6H10Cl3I/c7-6(8,9)4-2-1-3-5-10/h1-5H2
InChIKeyZRMWCUTYMDNAFW-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.35
Rot. Bonds4

About 1,1,1-trichloro-6-iodohexane

1,1,1-trichloro-6-iodohexane (PubChem CID 138596662) has the molecular formula C6H10Cl3I and a molecular weight of 315.41 g/mol. Its IUPAC name is 1,1,1-trichloro-6-iodohexane.

Molecular Properties

Compound Name1,1,1-trichloro-6-iodohexane
PubChem CID138596662
Molecular FormulaC6H10Cl3I
Molecular Weight315.41 g/mol
Exact Mass313.89
IUPAC Name1,1,1-trichloro-6-iodohexane
SMILESClC(Cl)(Cl)CCCCCI
InChIInChI=1S/C6H10Cl3I/c7-6(8,9)4-2-1-3-5-10/h1-5H2
InChIKeyZRMWCUTYMDNAFW-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trichloro-6-iodohexane?
The IUPAC name of 1,1,1-trichloro-6-iodohexane (CID 138596662) is 1,1,1-trichloro-6-iodohexane.
What is the SMILES notation for 1,1,1-trichloro-6-iodohexane?
The canonical SMILES for 1,1,1-trichloro-6-iodohexane is ClC(Cl)(Cl)CCCCCI.
What is the InChIKey of 1,1,1-trichloro-6-iodohexane?
The InChIKey is ZRMWCUTYMDNAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl3I/c7-6(8,9)4-2-1-3-5-10/h1-5H2.
What are the key properties of 1,1,1-trichloro-6-iodohexane?
1,1,1-trichloro-6-iodohexane has a molecular weight of 315.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-6-iodohexane is sourced from PubChem (CID 138596662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).