1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene

C11H14Cl2 — CID 141208011

IUPAC1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene
SMILESCC(C)(Cl)c1ccccc1CCCl
InChIInChI=1S/C11H14Cl2/c1-11(2,13)10-6-4-3-5-9(10)7-8-12/h3-6H,7-8H2,1-2H3
InChIKeyOGHIQHGBWIJFCB-UHFFFAOYSA-N
MW217.14 g/mol
LogP3.94
Rot. Bonds3

About 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene

1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene (PubChem CID 141208011) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene.

Molecular Properties

Compound Name1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene
PubChem CID141208011
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene
SMILESCC(C)(Cl)c1ccccc1CCCl
InChIInChI=1S/C11H14Cl2/c1-11(2,13)10-6-4-3-5-9(10)7-8-12/h3-6H,7-8H2,1-2H3
InChIKeyOGHIQHGBWIJFCB-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-chloro-2-(2-chloroethyl)benzene
CID 12587535
2-(2-chloroethyl)-N-methylaniline
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1-(2-chloropropan-2-yl)-2,3-didecylbenzene
CID 141248200
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CID 172561947
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
1-(2-chloroethyl)-2-(dichloromethyl)benzene
CID 70578989
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
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CID 53433961
1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene?
The IUPAC name of 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene (CID 141208011) is 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene.
What is the SMILES notation for 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene?
The canonical SMILES for 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene is CC(C)(Cl)c1ccccc1CCCl.
What is the InChIKey of 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene?
The InChIKey is OGHIQHGBWIJFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-11(2,13)10-6-4-3-5-9(10)7-8-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene?
1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene has a molecular weight of 217.14 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2-(2-chloropropan-2-yl)benzene is sourced from PubChem (CID 141208011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).