2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone

C5H4Cl4O — CID 169090019

IUPAC2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone
SMILESO=C(C(Cl)(Cl)Cl)C1(Cl)CC1
InChIInChI=1S/C5H4Cl4O/c6-4(1-2-4)3(10)5(7,8)9/h1-2H2
InChIKeyGHUDLHCCINJZCJ-UHFFFAOYSA-N
MW221.90 g/mol
LogP2.70
Rot. Bonds1

About 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone

2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone (PubChem CID 169090019) has the molecular formula C5H4Cl4O and a molecular weight of 221.90 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone
PubChem CID169090019
Molecular FormulaC5H4Cl4O
Molecular Weight221.90 g/mol
Exact Mass219.90
IUPAC Name2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone
SMILESO=C(C(Cl)(Cl)Cl)C1(Cl)CC1
InChIInChI=1S/C5H4Cl4O/c6-4(1-2-4)3(10)5(7,8)9/h1-2H2
InChIKeyGHUDLHCCINJZCJ-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.90
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-(1-chlorocyclopropyl)ethanone
CID 147495855
1-chloro-4,4-dimethylcyclohexane-1-carboxylic acid
CID 165485551
azane;2,2,2-trichloroacetyl chloride
CID 174960688
cis-(1S,2R)-1,2-dichlorocyclobutane-1,2-dicarboxylic acid
CID 130618268
2,2,2-trichloroacetamide
CID 71309866
1-chloro-3-methylidenecyclobutane-1-carboxylic acid
CID 67146328
strontium bis(2,2,2-trichloroacetate)
CID 161000929
dilithium;hydride;2,2,2-trichloroacetic acid
CID 175045504
silver 2,2,2-trichloroacetate
CID 22311595
europium(3+);tris(2,2,2-trichloroacetate)
CID 15799698
gallium tris(2,2,2-trichloroacetate)
CID 22604629
1-chlorocyclohexane-1,4-dicarboxylic acid
CID 21417345

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone?
The IUPAC name of 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone (CID 169090019) is 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone?
The canonical SMILES for 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone is O=C(C(Cl)(Cl)Cl)C1(Cl)CC1.
What is the InChIKey of 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone?
The InChIKey is GHUDLHCCINJZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl4O/c6-4(1-2-4)3(10)5(7,8)9/h1-2H2.
What are the key properties of 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone?
2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone has a molecular weight of 221.90 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone is sourced from PubChem (CID 169090019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).