2-chloropropanoyl iodide

C3H4ClIO — CID 19748093

IUPAC2-chloropropanoyl iodide
SMILESCC(Cl)C(=O)I
InChIInChI=1S/C3H4ClIO/c1-2(4)3(5)6/h2H,1H3
InChIKeyCIVUJAMCGIEBDV-UHFFFAOYSA-N
MW218.42 g/mol
LogP1.58
Rot. Bonds1

About 2-chloropropanoyl iodide

2-chloropropanoyl iodide (PubChem CID 19748093) has the molecular formula C3H4ClIO and a molecular weight of 218.42 g/mol. Its IUPAC name is 2-chloropropanoyl iodide.

Molecular Properties

Compound Name2-chloropropanoyl iodide
PubChem CID19748093
Molecular FormulaC3H4ClIO
Molecular Weight218.42 g/mol
Exact Mass217.90
IUPAC Name2-chloropropanoyl iodide
SMILESCC(Cl)C(=O)I
InChIInChI=1S/C3H4ClIO/c1-2(4)3(5)6/h2H,1H3
InChIKeyCIVUJAMCGIEBDV-UHFFFAOYSA-N
XLogP1.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

alumane;2-chloropropanoic acid
CID 173230355
3-chlorobutanoyl iodide
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1,1-dichloroethane;urea
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bis(3-bromobutan-2-one);bis(3-chlorobutan-2-one)
CID 159251456
2-chloropropanoyl(methyl)azanium
CID 176676973
(2R)-2-chloro-N-methylpropanamide
CID 7130812
(2S)-2-(methylamino)propanoyl iodide
CID 118312739
methyl N-[(2R)-2-chloropropanoyl]carbamate
CID 7130835
3-chloro-2-iodobutanoic acid
CID 131861443
methyl 2-chloropropanoate;stannane
CID 173428193
(2R)-2-hydrazinylpropanoyl iodide
CID 165009318
3-(2-chloropropanoyloxy)butan-2-yl 2-chloropropanoate
CID 102279540

Frequently Asked Questions

What is the IUPAC name of 2-chloropropanoyl iodide?
The IUPAC name of 2-chloropropanoyl iodide (CID 19748093) is 2-chloropropanoyl iodide.
What is the SMILES notation for 2-chloropropanoyl iodide?
The canonical SMILES for 2-chloropropanoyl iodide is CC(Cl)C(=O)I.
What is the InChIKey of 2-chloropropanoyl iodide?
The InChIKey is CIVUJAMCGIEBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClIO/c1-2(4)3(5)6/h2H,1H3.
What are the key properties of 2-chloropropanoyl iodide?
2-chloropropanoyl iodide has a molecular weight of 218.42 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropanoyl iodide is sourced from PubChem (CID 19748093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).