1-chloro-3-iodo-2-methylpropane

C4H8ClI — CID 19707302

IUPAC1-chloro-3-iodo-2-methylpropane
SMILESCC(CCl)CI
InChIInChI=1S/C4H8ClI/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKeyFHRUPGMMCXRPDU-UHFFFAOYSA-N
MW218.46 g/mol
LogP2.30
Rot. Bonds2

About 1-chloro-3-iodo-2-methylpropane

1-chloro-3-iodo-2-methylpropane (PubChem CID 19707302) has the molecular formula C4H8ClI and a molecular weight of 218.46 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-methylpropane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-methylpropane
PubChem CID19707302
Molecular FormulaC4H8ClI
Molecular Weight218.46 g/mol
Exact Mass217.94
IUPAC Name1-chloro-3-iodo-2-methylpropane
SMILESCC(CCl)CI
InChIInChI=1S/C4H8ClI/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKeyFHRUPGMMCXRPDU-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.46
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-2-methylpropane?
The IUPAC name of 1-chloro-3-iodo-2-methylpropane (CID 19707302) is 1-chloro-3-iodo-2-methylpropane.
What is the SMILES notation for 1-chloro-3-iodo-2-methylpropane?
The canonical SMILES for 1-chloro-3-iodo-2-methylpropane is CC(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-methylpropane?
The InChIKey is FHRUPGMMCXRPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClI/c1-4(2-5)3-6/h4H,2-3H2,1H3.
What are the key properties of 1-chloro-3-iodo-2-methylpropane?
1-chloro-3-iodo-2-methylpropane has a molecular weight of 218.46 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-2-methylpropane is sourced from PubChem (CID 19707302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).