(5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one

C6H5F5O2 — CID 10921609

IUPAC(5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one
SMILESO=C1CC[C@@H](C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C6H5F5O2/c7-5(8,6(9,10)11)3-1-2-4(12)13-3/h3H,1-2H2/t3-/m0/s1
InChIKeyNDFJGWDBEIJFOU-VKHMYHEASA-N
MW204.09 g/mol
LogP1.89
Rot. Bonds1

About (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one

(5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one (PubChem CID 10921609) has the molecular formula C6H5F5O2 and a molecular weight of 204.09 g/mol. Its IUPAC name is (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one
PubChem CID10921609
Molecular FormulaC6H5F5O2
Molecular Weight204.09 g/mol
Exact Mass204.02
IUPAC Name(5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one
SMILESO=C1CC[C@@H](C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C6H5F5O2/c7-5(8,6(9,10)11)3-1-2-4(12)13-3/h3H,1-2H2/t3-/m0/s1
InChIKeyNDFJGWDBEIJFOU-VKHMYHEASA-N
XLogP1.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one (CID 10921609) is (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one is O=C1CC[C@@H](C(F)(F)C(F)(F)F)O1.
What is the InChIKey of (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one?
The InChIKey is NDFJGWDBEIJFOU-VKHMYHEASA-N. The full InChI is InChI=1S/C6H5F5O2/c7-5(8,6(9,10)11)3-1-2-4(12)13-3/h3H,1-2H2/t3-/m0/s1.
What are the key properties of (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one?
(5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one has a molecular weight of 204.09 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one is sourced from PubChem (CID 10921609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).