3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione

C11H7F3O4 — CID 144594368

IUPAC3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione
SMILESO=C1CC(c2cccc(OC(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C11H7F3O4/c12-11(13,14)18-7-3-1-2-6(4-7)8-5-9(15)17-10(8)16/h1-4,8H,5H2
InChIKeyPRYJFZBQCRWFRX-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.14
Rot. Bonds2

About 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione

3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione (PubChem CID 144594368) has the molecular formula C11H7F3O4 and a molecular weight of 260.17 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione
PubChem CID144594368
Molecular FormulaC11H7F3O4
Molecular Weight260.17 g/mol
Exact Mass260.03
IUPAC Name3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione
SMILESO=C1CC(c2cccc(OC(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C11H7F3O4/c12-11(13,14)18-7-3-1-2-6(4-7)8-5-9(15)17-10(8)16/h1-4,8H,5H2
InChIKeyPRYJFZBQCRWFRX-UHFFFAOYSA-N
XLogP2.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
CID 98232209
3-(3-methylphenyl)oxolane-2,5-dione
CID 71683747
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
3-[3-(trifluoromethoxy)phenyl]cycloheptan-1-one
CID 64506215
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3304214
3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3688527
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564
(4S)-4-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68716237
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
(4R)-4-[3-(difluoromethoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97263524

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione (CID 144594368) is 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione is O=C1CC(c2cccc(OC(F)(F)F)c2)C(=O)O1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione?
The InChIKey is PRYJFZBQCRWFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O4/c12-11(13,14)18-7-3-1-2-6(4-7)8-5-9(15)17-10(8)16/h1-4,8H,5H2.
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione?
3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione has a molecular weight of 260.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione is sourced from PubChem (CID 144594368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).