2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde

C10H6Cl4O — CID 122615653

IUPAC2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1C(c2ccc(Cl)c(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C10H6Cl4O/c11-7-2-1-5(3-8(7)12)9-6(4-15)10(9,13)14/h1-4,6,9H
InChIKeyIAFMGVXZSOCQSP-UHFFFAOYSA-N
MW283.97 g/mol
LogP4.08
Rot. Bonds2

About 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde

2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde (PubChem CID 122615653) has the molecular formula C10H6Cl4O and a molecular weight of 283.97 g/mol. Its IUPAC name is 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde
PubChem CID122615653
Molecular FormulaC10H6Cl4O
Molecular Weight283.97 g/mol
Exact Mass281.92
IUPAC Name2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1C(c2ccc(Cl)c(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C10H6Cl4O/c11-7-2-1-5(3-8(7)12)9-6(4-15)10(9,13)14/h1-4,6,9H
InChIKeyIAFMGVXZSOCQSP-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3S)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 122615213
2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropane-1-carbaldehyde
CID 122615505
(1S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropane-1-carbaldehyde
CID 174088210
2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carbaldehyde
CID 122615598
(E)-3-[2-(3,4-dichlorophenyl)cyclopropyl]-2-fluoroprop-2-enal
CID 19769973
(E)-3-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]prop-2-enal
CID 141111886
(2E,4E)-5-[3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
CID 19769942
trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002465
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1R,2R)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002466
5-(3,4-dichlorophenyl)cyclohexane-1,3-dione
CID 599126
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-prop-2-enoxybenzamide
CID 122621073

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde (CID 122615653) is 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde is O=CC1C(c2ccc(Cl)c(Cl)c2)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde?
The InChIKey is IAFMGVXZSOCQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl4O/c11-7-2-1-5(3-8(7)12)9-6(4-15)10(9,13)14/h1-4,6,9H.
What are the key properties of 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde?
2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde has a molecular weight of 283.97 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 122615653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).