1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane

C7H11Cl2F — CID 12638877

IUPAC1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane
SMILESCC1(C)C(F)(Cl)C1(C)CCl
InChIInChI=1S/C7H11Cl2F/c1-5(2)6(3,4-8)7(5,9)10/h4H2,1-3H3
InChIKeyQAIKZZPPDYILKF-UHFFFAOYSA-N
MW185.07 g/mol
LogP3.18
Rot. Bonds1

About 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane

1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane (PubChem CID 12638877) has the molecular formula C7H11Cl2F and a molecular weight of 185.07 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane
PubChem CID12638877
Molecular FormulaC7H11Cl2F
Molecular Weight185.07 g/mol
Exact Mass184.02
IUPAC Name1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane
SMILESCC1(C)C(F)(Cl)C1(C)CCl
InChIInChI=1S/C7H11Cl2F/c1-5(2)6(3,4-8)7(5,9)10/h4H2,1-3H3
InChIKeyQAIKZZPPDYILKF-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.07
LogP ≤ 53.18
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-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane?
The IUPAC name of 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane (CID 12638877) is 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane?
The canonical SMILES for 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane is CC1(C)C(F)(Cl)C1(C)CCl.
What is the InChIKey of 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane?
The InChIKey is QAIKZZPPDYILKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2F/c1-5(2)6(3,4-8)7(5,9)10/h4H2,1-3H3.
What are the key properties of 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane?
1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane has a molecular weight of 185.07 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-1-fluoro-2,3,3-trimethylcyclopropane is sourced from PubChem (CID 12638877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).