(2,2-dichloro-1-methylcyclopropyl) carbonochloridate

C5H5Cl3O2 — CID 88727428

IUPAC(2,2-dichloro-1-methylcyclopropyl) carbonochloridate
SMILESCC1(OC(=O)Cl)CC1(Cl)Cl
InChIInChI=1S/C5H5Cl3O2/c1-4(10-3(6)9)2-5(4,7)8/h2H2,1H3
InChIKeyAHUWLKBGYRKZEQ-UHFFFAOYSA-N
MW203.45 g/mol
LogP2.70
Rot. Bonds1

About (2,2-dichloro-1-methylcyclopropyl) carbonochloridate

(2,2-dichloro-1-methylcyclopropyl) carbonochloridate (PubChem CID 88727428) has the molecular formula C5H5Cl3O2 and a molecular weight of 203.45 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl) carbonochloridate.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl) carbonochloridate
PubChem CID88727428
Molecular FormulaC5H5Cl3O2
Molecular Weight203.45 g/mol
Exact Mass201.94
IUPAC Name(2,2-dichloro-1-methylcyclopropyl) carbonochloridate
SMILESCC1(OC(=O)Cl)CC1(Cl)Cl
InChIInChI=1S/C5H5Cl3O2/c1-4(10-3(6)9)2-5(4,7)8/h2H2,1H3
InChIKeyAHUWLKBGYRKZEQ-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl) carbonochloridate?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl) carbonochloridate (CID 88727428) is (2,2-dichloro-1-methylcyclopropyl) carbonochloridate.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl) carbonochloridate?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl) carbonochloridate is CC1(OC(=O)Cl)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl) carbonochloridate?
The InChIKey is AHUWLKBGYRKZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3O2/c1-4(10-3(6)9)2-5(4,7)8/h2H2,1H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl) carbonochloridate?
(2,2-dichloro-1-methylcyclopropyl) carbonochloridate has a molecular weight of 203.45 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl) carbonochloridate is sourced from PubChem (CID 88727428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).