2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane

C12H13F3O3 — CID 102599381

IUPAC2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane
SMILESCOc1ccc(C(C2OCCO2)C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O3/c1-16-9-4-2-8(3-5-9)10(12(13,14)15)11-17-6-7-18-11/h2-5,10-11H,6-7H2,1H3
InChIKeyMIFAWEJFMRKXRR-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.71
Rot. Bonds3

About 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane

2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane (PubChem CID 102599381) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane
PubChem CID102599381
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane
SMILESCOc1ccc(C(C2OCCO2)C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O3/c1-16-9-4-2-8(3-5-9)10(12(13,14)15)11-17-6-7-18-11/h2-5,10-11H,6-7H2,1H3
InChIKeyMIFAWEJFMRKXRR-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane
CID 125483470
2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
CID 4868245
(2R)-2-[[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethoxy]methyl]oxirane
CID 97179827
2,3-bis(4-methoxyphenoxy)-1,4-dioxane
CID 13494254
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 130785461
(4S)-5,5,5-trifluoro-4-(4-methoxyphenyl)pentan-2-one
CID 125476618
methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
CID 174660732
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 164736193
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
CID 54520451

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane (CID 102599381) is 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane is COc1ccc(C(C2OCCO2)C(F)(F)F)cc1.
What is the InChIKey of 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane?
The InChIKey is MIFAWEJFMRKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c1-16-9-4-2-8(3-5-9)10(12(13,14)15)11-17-6-7-18-11/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane?
2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane has a molecular weight of 262.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 102599381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).