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

C11H10F4O2 — CID 125483470

IUPAC2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane
SMILESFc1ccc([C@@H](C2OCCO2)C(F)(F)F)cc1
InChIInChI=1S/C11H10F4O2/c12-8-3-1-7(2-4-8)9(11(13,14)15)10-16-5-6-17-10/h1-4,9-10H,5-6H2/t9-/m0/s1
InChIKeyLABQIGLUEKOBGK-VIFPVBQESA-N
MW250.19 g/mol
LogP2.84
Rot. Bonds2

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

2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane (PubChem CID 125483470) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane
PubChem CID125483470
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane
SMILESFc1ccc([C@@H](C2OCCO2)C(F)(F)F)cc1
InChIInChI=1S/C11H10F4O2/c12-8-3-1-7(2-4-8)9(11(13,14)15)10-16-5-6-17-10/h1-4,9-10H,5-6H2/t9-/m0/s1
InChIKeyLABQIGLUEKOBGK-VIFPVBQESA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane (CID 125483470) is 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane is Fc1ccc([C@@H](C2OCCO2)C(F)(F)F)cc1.
What is the InChIKey of 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane?
The InChIKey is LABQIGLUEKOBGK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10F4O2/c12-8-3-1-7(2-4-8)9(11(13,14)15)10-16-5-6-17-10/h1-4,9-10H,5-6H2/t9-/m0/s1.
What are the key properties of 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane?
2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane has a molecular weight of 250.19 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 125483470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).