3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione

C8H10F2O3 — CID 121369308

IUPAC3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione
SMILESCC(C1CC(=O)OC1=O)C(C)(F)F
InChIInChI=1S/C8H10F2O3/c1-4(8(2,9)10)5-3-6(11)13-7(5)12/h4-5H,3H2,1-2H3
InChIKeyVJZBDXPAWYAYIM-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.37
Rot. Bonds2

About 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione

3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione (PubChem CID 121369308) has the molecular formula C8H10F2O3 and a molecular weight of 192.16 g/mol. Its IUPAC name is 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione
PubChem CID121369308
Molecular FormulaC8H10F2O3
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione
SMILESCC(C1CC(=O)OC1=O)C(C)(F)F
InChIInChI=1S/C8H10F2O3/c1-4(8(2,9)10)5-3-6(11)13-7(5)12/h4-5H,3H2,1-2H3
InChIKeyVJZBDXPAWYAYIM-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;3-propan-2-yloxolane-2,5-dione
CID 145340196
3-tert-butyloxolane-2,5-dione
CID 10820811
3-(1-silylpropyl)oxolane-2,5-dione
CID 173422066
3-octadecan-2-yloxolane-2,5-dione
CID 86037827
3-(2-methylbutan-2-yl)oxolane-2,5-dione
CID 567164
methane;3-(3-methylheptan-2-yl)oxolane-2,5-dione
CID 159205301
3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione
CID 139795813
3-octadecan-8-yloxolane-2,5-dione
CID 150546786
3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione
CID 22979801
3-(2,2,3,5-tetramethylhexyl)oxolane-2,5-dione
CID 144726424
3-hexadecan-4-yloxolane-2,5-dione
CID 152596663
3-hept-1-en-3-yloxolane-2,5-dione;3-hex-1-en-3-yloxolane-2,5-dione
CID 157064477

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione?
The IUPAC name of 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione (CID 121369308) is 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione?
The canonical SMILES for 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione is CC(C1CC(=O)OC1=O)C(C)(F)F.
What is the InChIKey of 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione?
The InChIKey is VJZBDXPAWYAYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O3/c1-4(8(2,9)10)5-3-6(11)13-7(5)12/h4-5H,3H2,1-2H3.
What are the key properties of 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione?
3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione has a molecular weight of 192.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione is sourced from PubChem (CID 121369308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).