2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane

C11H10ClF3O2 — CID 10355590

IUPAC2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(C2(CCl)OCCO2)cc1
InChIInChI=1S/C11H10ClF3O2/c12-7-10(16-5-6-17-10)8-1-3-9(4-2-8)11(13,14)15/h1-4H,5-7H2
InChIKeyOZTVZSKUADHWSA-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.14
Rot. Bonds2

About 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane

2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 10355590) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane
PubChem CID10355590
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(C2(CCl)OCCO2)cc1
InChIInChI=1S/C11H10ClF3O2/c12-7-10(16-5-6-17-10)8-1-3-9(4-2-8)11(13,14)15/h1-4H,5-7H2
InChIKeyOZTVZSKUADHWSA-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane (CID 10355590) is 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane is FC(F)(F)c1ccc(C2(CCl)OCCO2)cc1.
What is the InChIKey of 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is OZTVZSKUADHWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c12-7-10(16-5-6-17-10)8-1-3-9(4-2-8)11(13,14)15/h1-4H,5-7H2.
What are the key properties of 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 266.65 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 10355590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).