1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene

C12H13Cl3 — CID 106798541

IUPAC1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene
SMILESCC(Cl)C1(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H13Cl3/c1-8(13)12(5-6-12)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3
InChIKeyRCEUHURANYYLQG-UHFFFAOYSA-N
MW263.59 g/mol
LogP4.94
Rot. Bonds3

About 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene

1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene (PubChem CID 106798541) has the molecular formula C12H13Cl3 and a molecular weight of 263.59 g/mol. Its IUPAC name is 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene
PubChem CID106798541
Molecular FormulaC12H13Cl3
Molecular Weight263.59 g/mol
Exact Mass262.01
IUPAC Name1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene
SMILESCC(Cl)C1(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C12H13Cl3/c1-8(13)12(5-6-12)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3
InChIKeyRCEUHURANYYLQG-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.59
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene (CID 106798541) is 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene is CC(Cl)C1(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene?
The InChIKey is RCEUHURANYYLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3/c1-8(13)12(5-6-12)7-9-10(14)3-2-4-11(9)15/h2-4,8H,5-7H2,1H3.
What are the key properties of 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene?
1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene has a molecular weight of 263.59 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[[1-(1-chloroethyl)cyclopropyl]methyl]benzene is sourced from PubChem (CID 106798541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).