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

C5H5Cl3O — CID 147495855

IUPAC2,2-dichloro-1-(1-chlorocyclopropyl)ethanone
SMILESO=C(C(Cl)Cl)C1(Cl)CC1
InChIInChI=1S/C5H5Cl3O/c6-4(7)3(9)5(8)1-2-5/h4H,1-2H2
InChIKeyFGKYEIOZHBUPEP-UHFFFAOYSA-N
MW187.45 g/mol
LogP2.13
Rot. Bonds2

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

2,2-dichloro-1-(1-chlorocyclopropyl)ethanone (PubChem CID 147495855) has the molecular formula C5H5Cl3O and a molecular weight of 187.45 g/mol. Its IUPAC name is 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(1-chlorocyclopropyl)ethanone
PubChem CID147495855
Molecular FormulaC5H5Cl3O
Molecular Weight187.45 g/mol
Exact Mass185.94
IUPAC Name2,2-dichloro-1-(1-chlorocyclopropyl)ethanone
SMILESO=C(C(Cl)Cl)C1(Cl)CC1
InChIInChI=1S/C5H5Cl3O/c6-4(7)3(9)5(8)1-2-5/h4H,1-2H2
InChIKeyFGKYEIOZHBUPEP-UHFFFAOYSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.45
LogP ≤ 52.13
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-(2-methyl-1,3-dioxolan-2-yl)ethanone
CID 21471052
2,2,2-trichloro-1-(1-chlorocyclopropyl)ethanone
CID 169090019
1-chloro-4,4-dimethylcyclohexane-1-carboxylic acid
CID 165485551
cis-(1S,2R)-1,2-dichlorocyclobutane-1,2-dicarboxylic acid
CID 130618268
1,3-dichloro-1,3-bis(1-fluorocyclopropyl)propan-2-one
CID 139626227
bis(2,2-dichloroacetic acid);dihydrochloride
CID 173211247
1,1-dichloropropan-2-one
CID 10567
bis(2,2-dichloroacetate);nickel(2+)
CID 18984292
bis(2,2-dichloroacetate);iron(2+)
CID 18984297
cobalt(2+);bis(2,2-dichloroacetate)
CID 18984290
calcium bis(2,2-dichloroacetate)
CID 56953502
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone?
The IUPAC name of 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone (CID 147495855) is 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone is O=C(C(Cl)Cl)C1(Cl)CC1.
What is the InChIKey of 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone?
The InChIKey is FGKYEIOZHBUPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3O/c6-4(7)3(9)5(8)1-2-5/h4H,1-2H2.
What are the key properties of 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone?
2,2-dichloro-1-(1-chlorocyclopropyl)ethanone has a molecular weight of 187.45 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(1-chlorocyclopropyl)ethanone is sourced from PubChem (CID 147495855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).