[difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate

C8H2F12O3 — CID 21015220

IUPAC[difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate
SMILESO=C(CC(F)(F)F)OC(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F12O3/c9-3(10,11)1-2(21)22-8(19,20)6(16)4(12,13)5(14,15)7(17,18)23-6/h1H2
InChIKeyVFTPGSFGQVMMEQ-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.63
Rot. Bonds3

About [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate

[difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate (PubChem CID 21015220) has the molecular formula C8H2F12O3 and a molecular weight of 374.08 g/mol. Its IUPAC name is [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Name[difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate
PubChem CID21015220
Molecular FormulaC8H2F12O3
Molecular Weight374.08 g/mol
Exact Mass373.98
IUPAC Name[difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate
SMILESO=C(CC(F)(F)F)OC(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F12O3/c9-3(10,11)1-2(21)22-8(19,20)6(16)4(12,13)5(14,15)7(17,18)23-6/h1H2
InChIKeyVFTPGSFGQVMMEQ-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate?
The IUPAC name of [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate (CID 21015220) is [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate.
What is the SMILES notation for [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate?
The canonical SMILES for [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate is O=C(CC(F)(F)F)OC(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate?
The InChIKey is VFTPGSFGQVMMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O3/c9-3(10,11)1-2(21)22-8(19,20)6(16)4(12,13)5(14,15)7(17,18)23-6/h1H2.
What are the key properties of [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate?
[difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate has a molecular weight of 374.08 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)methyl] 3,3,3-trifluoropropanoate is sourced from PubChem (CID 21015220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).