2-chloro-3-iodobutane

C4H8ClI — CID 13183714

IUPAC2-chloro-3-iodobutane
SMILESCC(Cl)C(C)I
InChIInChI=1S/C4H8ClI/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKeyRJHXFBQMFXZORO-UHFFFAOYSA-N
MW218.47 g/mol
LogP2.44
Rot. Bonds1

About 2-chloro-3-iodobutane

2-chloro-3-iodobutane (PubChem CID 13183714) has the molecular formula C4H8ClI and a molecular weight of 218.47 g/mol. Its IUPAC name is 2-chloro-3-iodobutane.

Molecular Properties

Compound Name2-chloro-3-iodobutane
PubChem CID13183714
Molecular FormulaC4H8ClI
Molecular Weight218.47 g/mol
Exact Mass217.94
IUPAC Name2-chloro-3-iodobutane
SMILESCC(Cl)C(C)I
InChIInChI=1S/C4H8ClI/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKeyRJHXFBQMFXZORO-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.47
LogP ≤ 52.44
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'}

Analyze 2-chloro-3-iodobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Chloro-4-iodobutane
CID 82527
1-Chloro-5-iodopentane
CID 108914
3-Chloro-1-iodobutane
CID 18551796
1-Chloro-3-iodo-2-methylpropane
CID 19707302
Chloroiodopropane
CID 23271035
1-Chloro-1-iodopentane
CID 85635238
1,6-Chloroiodohexane
CID 85748705
(2S)-3-chloro-2-fluoro-1-iodobutane
CID 173797900
1-Chloro-2-iodopropane
CID 12596099
(2R,3R)-2-chloro-3-iodobutane
CID 13183716
1-Chloro-2-iodohexane
CID 12572122
1-Chloro-1-iodobutane
CID 21989222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-iodobutane?
The IUPAC name of 2-chloro-3-iodobutane (CID 13183714) is 2-chloro-3-iodobutane.
What is the SMILES notation for 2-chloro-3-iodobutane?
The canonical SMILES for 2-chloro-3-iodobutane is CC(Cl)C(C)I.
What is the InChIKey of 2-chloro-3-iodobutane?
The InChIKey is RJHXFBQMFXZORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClI/c1-3(5)4(2)6/h3-4H,1-2H3.
What are the key properties of 2-chloro-3-iodobutane?
2-chloro-3-iodobutane has a molecular weight of 218.47 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-iodobutane is sourced from PubChem (CID 13183714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).