(5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one

C10H6F6O4 — CID 14976461

IUPAC(5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one
SMILESO=C1C=C[C@]([C@H]2CC(=O)O[C@@H]2C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C10H6F6O4/c11-9(12,13)7-4(3-6(18)19-7)8(10(14,15)16)2-1-5(17)20-8/h1-2,4,7H,3H2/t4-,7-,8-/m0/s1
InChIKeyNZUVPQCNIDRACZ-YRKVQTBBSA-N
MW304.14 g/mol
LogP1.89
Rot. Bonds1

About (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one

(5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one (PubChem CID 14976461) has the molecular formula C10H6F6O4 and a molecular weight of 304.14 g/mol. Its IUPAC name is (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one
PubChem CID14976461
Molecular FormulaC10H6F6O4
Molecular Weight304.14 g/mol
Exact Mass304.02
IUPAC Name(5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one
SMILESO=C1C=C[C@]([C@H]2CC(=O)O[C@@H]2C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C10H6F6O4/c11-9(12,13)7-4(3-6(18)19-7)8(10(14,15)16)2-1-5(17)20-8/h1-2,4,7H,3H2/t4-,7-,8-/m0/s1
InChIKeyNZUVPQCNIDRACZ-YRKVQTBBSA-N
XLogP1.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one?
The IUPAC name of (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one (CID 14976461) is (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one.
What is the SMILES notation for (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one?
The canonical SMILES for (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one is O=C1C=C[C@]([C@H]2CC(=O)O[C@@H]2C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one?
The InChIKey is NZUVPQCNIDRACZ-YRKVQTBBSA-N. The full InChI is InChI=1S/C10H6F6O4/c11-9(12,13)7-4(3-6(18)19-7)8(10(14,15)16)2-1-5(17)20-8/h1-2,4,7H,3H2/t4-,7-,8-/m0/s1.
What are the key properties of (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one?
(5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one has a molecular weight of 304.14 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S,3S)-5-oxo-2-(trifluoromethyl)oxolan-3-yl]-5-(trifluoromethyl)furan-2-one is sourced from PubChem (CID 14976461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).