2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone

C8H10Cl2O2 — CID 118495999

IUPAC2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone
SMILESO=C(CCl)[C@@H]1CC[C@H]1C(=O)CCl
InChIInChI=1S/C8H10Cl2O2/c9-3-7(11)5-1-2-6(5)8(12)4-10/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyKOCPYZQAVPTCPM-PHDIDXHHSA-N
MW209.07 g/mol
LogP1.63
Rot. Bonds4

About 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone

2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone (PubChem CID 118495999) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone
PubChem CID118495999
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Name2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone
SMILESO=C(CCl)[C@@H]1CC[C@H]1C(=O)CCl
InChIInChI=1S/C8H10Cl2O2/c9-3-7(11)5-1-2-6(5)8(12)4-10/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyKOCPYZQAVPTCPM-PHDIDXHHSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[(1S,2S)-2-methylcyclopropyl]ethanone
CID 93494094
2-(2-chloroacetyl)cyclohexane-1-carboxylic acid
CID 118009031
trans-methyl (1R,2R)-2-(2-chloroacetyl)cyclohexane-1-carboxylate
CID 45081202
2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
CID 154814213
3-(2-chloroacetyl)cyclopentane-1-carboxylic acid
CID 172968794
2-chloro-1-(2-ethenylcyclohexyl)ethanone
CID 12579604
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
2-chloro-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone;methane
CID 158411991
beryllium bis(2-chloroacetate)
CID 146405283
2-chloroacetyl chloride;silane
CID 174549758
N-[2-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide
CID 103516291
2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone
CID 13192855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone?
The IUPAC name of 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone (CID 118495999) is 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone.
What is the SMILES notation for 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone?
The canonical SMILES for 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone is O=C(CCl)[C@@H]1CC[C@H]1C(=O)CCl.
What is the InChIKey of 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone?
The InChIKey is KOCPYZQAVPTCPM-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c9-3-7(11)5-1-2-6(5)8(12)4-10/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone?
2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone has a molecular weight of 209.07 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(1R,2R)-2-(2-chloroacetyl)cyclobutyl]ethanone is sourced from PubChem (CID 118495999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).