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

C15H19F3O4 — CID 161308899

IUPAC2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
SMILESCOCCCOc1cc(C(F)(F)F)ccc1C1(C)OCCO1
InChIInChI=1S/C15H19F3O4/c1-14(21-8-9-22-14)12-5-4-11(15(16,17)18)10-13(12)20-7-3-6-19-2/h4-5,10H,3,6-9H2,1-2H3
InChIKeyVIPVMZKAUUDEGP-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.34
Rot. Bonds6

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

2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane (PubChem CID 161308899) has the molecular formula C15H19F3O4 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
PubChem CID161308899
Molecular FormulaC15H19F3O4
Molecular Weight320.31 g/mol
Exact Mass320.12
IUPAC Name2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
SMILESCOCCCOc1cc(C(F)(F)F)ccc1C1(C)OCCO1
InChIInChI=1S/C15H19F3O4/c1-14(21-8-9-22-14)12-5-4-11(15(16,17)18)10-13(12)20-7-3-6-19-2/h4-5,10H,3,6-9H2,1-2H3
InChIKeyVIPVMZKAUUDEGP-UHFFFAOYSA-N
XLogP3.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane (CID 161308899) is 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane is COCCCOc1cc(C(F)(F)F)ccc1C1(C)OCCO1.
What is the InChIKey of 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The InChIKey is VIPVMZKAUUDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O4/c1-14(21-8-9-22-14)12-5-4-11(15(16,17)18)10-13(12)20-7-3-6-19-2/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane has a molecular weight of 320.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 161308899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).