4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one

C10H7F3O3 — CID 102125689

IUPAC4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)7-3-1-2-6(4-7)8-5-15-9(14)16-8/h1-4,8H,5H2
InChIKeyBPBUEGGLCWRDAH-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.91
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one

4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one (PubChem CID 102125689) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
PubChem CID102125689
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)7-3-1-2-6(4-7)8-5-15-9(14)16-8/h1-4,8H,5H2
InChIKeyBPBUEGGLCWRDAH-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628
4-phenyl-1,3-dioxolan-2-one
CID 160714565
(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one
CID 71698017
2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114671510
2-[(3S,8S)-3-[3-(trifluoromethyl)phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl]acetic acid
CID 71613521
5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
CID 13092013
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
(4S)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 171185732
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 3411631
4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 77401770
4-(4-bromophenyl)-1,3-dioxolan-2-one
CID 66961495

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one (CID 102125689) is 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one is O=C1OCC(c2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one?
The InChIKey is BPBUEGGLCWRDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-10(12,13)7-3-1-2-6(4-7)8-5-15-9(14)16-8/h1-4,8H,5H2.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one?
4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one has a molecular weight of 232.16 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 102125689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).