1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane

C7H12Cl2 — CID 23269028

IUPAC1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane
SMILESCC1(C)CC1(Cl)CCCl
InChIInChI=1S/C7H12Cl2/c1-6(2)5-7(6,9)3-4-8/h3-5H2,1-2H3
InChIKeyHAGUJDIWSYIFRM-UHFFFAOYSA-N
MW167.08 g/mol
LogP3.02
Rot. Bonds2

About 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane

1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane (PubChem CID 23269028) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane.

Molecular Properties

Compound Name1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane
PubChem CID23269028
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane
SMILESCC1(C)CC1(Cl)CCCl
InChIInChI=1S/C7H12Cl2/c1-6(2)5-7(6,9)3-4-8/h3-5H2,1-2H3
InChIKeyHAGUJDIWSYIFRM-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 53.02
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

1,1-Dichloro-3-(chloromethyl)-2,2-dimethylcyclopropane
CID 2775273
3-Chloro-1,1,2,2-tetramethylcyclopropane
CID 566174
Cyclopropane, 2-chloro-1-ethyl-1-methyl-
CID 544586
1-(2-Chloroethyl)-1-(chloromethyl)cyclopropane
CID 167719420
2-(2-Chloroethyl)-1,1-dimethylcyclopropane
CID 23269032
Cyclopropane, 2-chloro-1,1,3-trimethyl-
CID 557870
1-(Chloromethyl)-1,2,2,3-tetramethylcyclopropane
CID 91577976
1-Chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane
CID 12638877
(2R)-1-chloro-3-(chloromethyl)-2-ethyl-1-fluoro-2-methylcyclopropane
CID 23234329
3-(Chloromethyl)-1,1,2,2-tetramethylcyclopropane
CID 55302479
2-(Chloromethyl)-1,1-dimethylcyclopropane
CID 12627051
1,1-Dichloro-2-methyl-2-propylcyclopropane
CID 12936731

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane?
The IUPAC name of 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane (CID 23269028) is 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane.
What is the SMILES notation for 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane?
The canonical SMILES for 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane is CC1(C)CC1(Cl)CCCl.
What is the InChIKey of 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane?
The InChIKey is HAGUJDIWSYIFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c1-6(2)5-7(6,9)3-4-8/h3-5H2,1-2H3.
What are the key properties of 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane?
1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane has a molecular weight of 167.08 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-chloroethyl)-2,2-dimethylcyclopropane is sourced from PubChem (CID 23269028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).