acetic acid;1-chloro-3-iodopropan-2-ol

C5H10ClIO3 — CID 71332339

IUPACacetic acid;1-chloro-3-iodopropan-2-ol
SMILESCC(=O)O.OC(CCl)CI
InChIInChI=1S/C3H6ClIO.C2H4O2/c4-1-3(6)2-5;1-2(3)4/h3,6H,1-2H2;1H3,(H,3,4)
InChIKeyWPHFCRRDDDWTBE-UHFFFAOYSA-N
MW280.49 g/mol
LogP1.11
Rot. Bonds2

About acetic acid;1-chloro-3-iodopropan-2-ol

acetic acid;1-chloro-3-iodopropan-2-ol (PubChem CID 71332339) has the molecular formula C5H10ClIO3 and a molecular weight of 280.49 g/mol. Its IUPAC name is acetic acid;1-chloro-3-iodopropan-2-ol.

Molecular Properties

Compound Nameacetic acid;1-chloro-3-iodopropan-2-ol
PubChem CID71332339
Molecular FormulaC5H10ClIO3
Molecular Weight280.49 g/mol
Exact Mass279.94
IUPAC Nameacetic acid;1-chloro-3-iodopropan-2-ol
SMILESCC(=O)O.OC(CCl)CI
InChIInChI=1S/C3H6ClIO.C2H4O2/c4-1-3(6)2-5;1-2(3)4/h3,6H,1-2H2;1H3,(H,3,4)
InChIKeyWPHFCRRDDDWTBE-UHFFFAOYSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-chloro-3-iodopropan-2-ol?
The IUPAC name of acetic acid;1-chloro-3-iodopropan-2-ol (CID 71332339) is acetic acid;1-chloro-3-iodopropan-2-ol.
What is the SMILES notation for acetic acid;1-chloro-3-iodopropan-2-ol?
The canonical SMILES for acetic acid;1-chloro-3-iodopropan-2-ol is CC(=O)O.OC(CCl)CI.
What is the InChIKey of acetic acid;1-chloro-3-iodopropan-2-ol?
The InChIKey is WPHFCRRDDDWTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClIO.C2H4O2/c4-1-3(6)2-5;1-2(3)4/h3,6H,1-2H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-chloro-3-iodopropan-2-ol?
acetic acid;1-chloro-3-iodopropan-2-ol has a molecular weight of 280.49 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-chloro-3-iodopropan-2-ol is sourced from PubChem (CID 71332339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).