1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone

C11H10Cl2O — CID 93304641

IUPAC1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2O/c1-6(14)10-5-11(10)7-2-8(12)4-9(13)3-7/h2-4,10-11H,5H2,1H3/t10-,11-/m0/s1
InChIKeyVVKBZVAABGXCER-QWRGUYRKSA-N
MW229.11 g/mol
LogP3.69
Rot. Bonds2

About 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone

1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone (PubChem CID 93304641) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
PubChem CID93304641
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Name1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
SMILESCC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2O/c1-6(14)10-5-11(10)7-2-8(12)4-9(13)3-7/h2-4,10-11H,5H2,1H3/t10-,11-/m0/s1
InChIKeyVVKBZVAABGXCER-QWRGUYRKSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
2-chloro-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone;methane
CID 158411991
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
N-(2-amino-2-methylpropyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119626280
methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 124711462
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
[2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone
CID 167935649
1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone
CID 154624191
1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
CID 79980851

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone (CID 93304641) is 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone is CC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone?
The InChIKey is VVKBZVAABGXCER-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H10Cl2O/c1-6(14)10-5-11(10)7-2-8(12)4-9(13)3-7/h2-4,10-11H,5H2,1H3/t10-,11-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone?
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone has a molecular weight of 229.11 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 93304641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).