(5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one

C5H4F4O2 — CID 59891002

IUPAC(5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one
SMILESC[C@H]1OC(=O)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F4O2/c1-2-4(6,7)5(8,9)3(10)11-2/h2H,1H3/t2-/m1/s1
InChIKeyGYRJYIFRAYGQIV-UWTATZPHSA-N
MW172.08 g/mol
LogP1.20
Rot. Bonds

About (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one

(5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one (PubChem CID 59891002) has the molecular formula C5H4F4O2 and a molecular weight of 172.08 g/mol. Its IUPAC name is (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one
PubChem CID59891002
Molecular FormulaC5H4F4O2
Molecular Weight172.08 g/mol
Exact Mass172.01
IUPAC Name(5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one
SMILESC[C@H]1OC(=O)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F4O2/c1-2-4(6,7)5(8,9)3(10)11-2/h2H,1H3/t2-/m1/s1
InChIKeyGYRJYIFRAYGQIV-UWTATZPHSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 51.20
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 (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one?
The IUPAC name of (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one (CID 59891002) is (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one.
What is the SMILES notation for (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one?
The canonical SMILES for (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one is C[C@H]1OC(=O)C(F)(F)C1(F)F.
What is the InChIKey of (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one?
The InChIKey is GYRJYIFRAYGQIV-UWTATZPHSA-N. The full InChI is InChI=1S/C5H4F4O2/c1-2-4(6,7)5(8,9)3(10)11-2/h2H,1H3/t2-/m1/s1.
What are the key properties of (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one?
(5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one has a molecular weight of 172.08 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3,4,4-tetrafluoro-5-methyloxolan-2-one is sourced from PubChem (CID 59891002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).