2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane

C8H11Cl2F3 — CID 70536698

IUPAC2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CC(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C8H11Cl2F3/c1-6(2)3-5(6)4-7(9,10)8(11,12)13/h5H,3-4H2,1-2H3
InChIKeyWEBMLUOXWHPWCK-UHFFFAOYSA-N
MW235.08 g/mol
LogP4.16
Rot. Bonds2

About 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane

2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane (PubChem CID 70536698) has the molecular formula C8H11Cl2F3 and a molecular weight of 235.08 g/mol. Its IUPAC name is 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane
PubChem CID70536698
Molecular FormulaC8H11Cl2F3
Molecular Weight235.08 g/mol
Exact Mass234.02
IUPAC Name2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CC(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C8H11Cl2F3/c1-6(2)3-5(6)4-7(9,10)8(11,12)13/h5H,3-4H2,1-2H3
InChIKeyWEBMLUOXWHPWCK-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 54.16
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 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane (CID 70536698) is 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane is CC1(C)CC1CC(Cl)(Cl)C(F)(F)F.
What is the InChIKey of 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane?
The InChIKey is WEBMLUOXWHPWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2F3/c1-6(2)3-5(6)4-7(9,10)8(11,12)13/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane?
2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane has a molecular weight of 235.08 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloro-3,3,3-trifluoropropyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 70536698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).