(4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane

C5HF9O — CID 15717481

IUPAC(4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
SMILESF[C@@H]1C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-1-2(7,8)5(13,14)15-3(1,9)4(10,11)12/h1H/t1-,3+/m1/s1
InChIKeyIXOKEJCHTLSFIM-GPKNORDASA-N
MW248.04 g/mol
LogP2.81
Rot. Bonds

About (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane

(4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane (PubChem CID 15717481) has the molecular formula C5HF9O and a molecular weight of 248.04 g/mol. Its IUPAC name is (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
PubChem CID15717481
Molecular FormulaC5HF9O
Molecular Weight248.04 g/mol
Exact Mass247.99
IUPAC Name(4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
SMILESF[C@@H]1C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)F
InChIInChI=1S/C5HF9O/c6-1-2(7,8)5(13,14)15-3(1,9)4(10,11)12/h1H/t1-,3+/m1/s1
InChIKeyIXOKEJCHTLSFIM-GPKNORDASA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane?
The IUPAC name of (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane (CID 15717481) is (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane.
What is the SMILES notation for (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane?
The canonical SMILES for (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane is F[C@@H]1C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)F.
What is the InChIKey of (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane?
The InChIKey is IXOKEJCHTLSFIM-GPKNORDASA-N. The full InChI is InChI=1S/C5HF9O/c6-1-2(7,8)5(13,14)15-3(1,9)4(10,11)12/h1H/t1-,3+/m1/s1.
What are the key properties of (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane?
(4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane has a molecular weight of 248.04 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 15717481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).