1,1-dichloro-1-iodopentane

C5H9Cl2I — CID 175223668

IUPAC1,1-dichloro-1-iodopentane
SMILESCCCCC(Cl)(Cl)I
InChIInChI=1S/C5H9Cl2I/c1-2-3-4-5(6,7)8/h2-4H2,1H3
InChIKeyIRLGSHCQHCVCGX-UHFFFAOYSA-N
MW266.94 g/mol
LogP3.74
Rot. Bonds3

About 1,1-dichloro-1-iodopentane

1,1-dichloro-1-iodopentane (PubChem CID 175223668) has the molecular formula C5H9Cl2I and a molecular weight of 266.94 g/mol. Its IUPAC name is 1,1-dichloro-1-iodopentane.

Molecular Properties

Compound Name1,1-dichloro-1-iodopentane
PubChem CID175223668
Molecular FormulaC5H9Cl2I
Molecular Weight266.94 g/mol
Exact Mass265.91
IUPAC Name1,1-dichloro-1-iodopentane
SMILESCCCCC(Cl)(Cl)I
InChIInChI=1S/C5H9Cl2I/c1-2-3-4-5(6,7)8/h2-4H2,1H3
InChIKeyIRLGSHCQHCVCGX-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.94
LogP ≤ 53.74
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'}

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Related Compounds

Pentane, 2,2-dichloro-
CID 141934
1,1,1-Trichloropentane
CID 12629057
1,1,1-Tri-chloro-4-iodobutane
CID 54308813
1,1,1-Trichloro-5-iodopentane
CID 86189887
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
3-Chloro-3-iodopentane
CID 151673398
1,1,1-Trichloro-3-iodoheptane
CID 13698529

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-iodopentane?
The IUPAC name of 1,1-dichloro-1-iodopentane (CID 175223668) is 1,1-dichloro-1-iodopentane.
What is the SMILES notation for 1,1-dichloro-1-iodopentane?
The canonical SMILES for 1,1-dichloro-1-iodopentane is CCCCC(Cl)(Cl)I.
What is the InChIKey of 1,1-dichloro-1-iodopentane?
The InChIKey is IRLGSHCQHCVCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2I/c1-2-3-4-5(6,7)8/h2-4H2,1H3.
What are the key properties of 1,1-dichloro-1-iodopentane?
1,1-dichloro-1-iodopentane has a molecular weight of 266.94 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-iodopentane is sourced from PubChem (CID 175223668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).