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

C11H11F3O3 — CID 130785461

IUPAC2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESCOc1ccc(C2OCCO2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O3/c1-15-7-2-3-8(10-16-4-5-17-10)9(6-7)11(12,13)14/h2-3,6,10H,4-5H2,1H3
InChIKeyJVDLWLXZUZWRTP-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.76
Rot. Bonds2

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

2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 130785461) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
PubChem CID130785461
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESCOc1ccc(C2OCCO2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O3/c1-15-7-2-3-8(10-16-4-5-17-10)9(6-7)11(12,13)14/h2-3,6,10H,4-5H2,1H3
InChIKeyJVDLWLXZUZWRTP-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane (CID 130785461) is 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane is COc1ccc(C2OCCO2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is JVDLWLXZUZWRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-15-7-2-3-8(10-16-4-5-17-10)9(6-7)11(12,13)14/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane?
2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 248.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 130785461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).