[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane

C15H19Cl3 — CID 63531103

IUPAC[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
SMILESClc1ccc(CC(Cl)C2CCCCCC2)cc1Cl
InChIInChI=1S/C15H19Cl3/c16-13-8-7-11(10-15(13)18)9-14(17)12-5-3-1-2-4-6-12/h7-8,10,12,14H,1-6,9H2
InChIKeyFGRFZMCFWROAHF-UHFFFAOYSA-N
MW305.68 g/mol
LogP6.11
Rot. Bonds3

About [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane

[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane (PubChem CID 63531103) has the molecular formula C15H19Cl3 and a molecular weight of 305.68 g/mol. Its IUPAC name is [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane.

Molecular Properties

Compound Name[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
PubChem CID63531103
Molecular FormulaC15H19Cl3
Molecular Weight305.68 g/mol
Exact Mass304.06
IUPAC Name[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane
SMILESClc1ccc(CC(Cl)C2CCCCCC2)cc1Cl
InChIInChI=1S/C15H19Cl3/c16-13-8-7-11(10-15(13)18)9-14(17)12-5-3-1-2-4-6-12/h7-8,10,12,14H,1-6,9H2
InChIKeyFGRFZMCFWROAHF-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.68
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-4-(2-chloro-2-cyclobutylethyl)benzene
CID 63529747
[2-(4-bromophenyl)-1-chloroethyl]cyclooctane
CID 65020959
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene
CID 57027605
2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 65030216
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
[1-chloro-2-(4-nitrophenyl)ethyl]cycloheptane
CID 63542815
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
1-chloro-4-(3-chloro-3-cyclopentylpropyl)-2-fluorobenzene
CID 107897043
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
1-cyclopentylsulfanyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 65138589

Frequently Asked Questions

What is the IUPAC name of [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane?
The IUPAC name of [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane (CID 63531103) is [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane.
What is the SMILES notation for [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane?
The canonical SMILES for [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane is Clc1ccc(CC(Cl)C2CCCCCC2)cc1Cl.
What is the InChIKey of [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane?
The InChIKey is FGRFZMCFWROAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl3/c16-13-8-7-11(10-15(13)18)9-14(17)12-5-3-1-2-4-6-12/h7-8,10,12,14H,1-6,9H2.
What are the key properties of [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane?
[1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane has a molecular weight of 305.68 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-2-(3,4-dichlorophenyl)ethyl]cycloheptane is sourced from PubChem (CID 63531103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).