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

C12H13F3O2 — CID 102163930

IUPAC2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(CCC2OCCO2)cc1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)10-4-1-9(2-5-10)3-6-11-16-7-8-17-11/h1-2,4-5,11H,3,6-8H2
InChIKeyBDGDPAJWOBSOQY-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.01
Rot. Bonds3

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

2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane (PubChem CID 102163930) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane
PubChem CID102163930
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(CCC2OCCO2)cc1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)10-4-1-9(2-5-10)3-6-11-16-7-8-17-11/h1-2,4-5,11H,3,6-8H2
InChIKeyBDGDPAJWOBSOQY-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
2-Benzyl-1,3-dioxolane
CID 7562
1,3-Dioxolane, 2-(1-phenylethyl)-
CID 97785
4-Methyl-2-(phenylmethyl)-1,3-dioxolane
CID 50936913
Cyclamen aldehyde diethyl acetal
CID 23534
2-Phenethyldioxolane
CID 64811
1,3-Dioxolane, 2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)-
CID 175216
4-[Difluoro(phenyl)methyl]-1,3-dioxolan-2-one
CID 101393626
2-Methyl-2-phenethyl-1,3-dioxolane
CID 11830267
2-Ethoxy-3-phenethyl-2-(trifluoromethyl)oxirane
CID 15651912
4-Methyl-2-(2-phenylpropyl)-1,3-dioxolane
CID 2828528
2-Benzyl-4-methyl-1,3-dioxolane
CID 95633

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane (CID 102163930) is 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane is FC(F)(F)c1ccc(CCC2OCCO2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane?
The InChIKey is BDGDPAJWOBSOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)10-4-1-9(2-5-10)3-6-11-16-7-8-17-11/h1-2,4-5,11H,3,6-8H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane?
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane has a molecular weight of 246.23 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 102163930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).