(5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one

C4F6O3 — CID 155112669

IUPAC(5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(F)(F)[C@@](F)(C(F)(F)F)O1
InChIInChI=1S/C4F6O3/c5-2(3(6,7)8)4(9,10)13-1(11)12-2/t2-/m1/s1
InChIKeyNQVYJHFUMNISSO-UWTATZPHSA-N
MW210.03 g/mol
LogP1.97
Rot. Bonds

About (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one

(5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 155112669) has the molecular formula C4F6O3 and a molecular weight of 210.03 g/mol. Its IUPAC name is (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID155112669
Molecular FormulaC4F6O3
Molecular Weight210.03 g/mol
Exact Mass209.98
IUPAC Name(5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(F)(F)[C@@](F)(C(F)(F)F)O1
InChIInChI=1S/C4F6O3/c5-2(3(6,7)8)4(9,10)13-1(11)12-2/t2-/m1/s1
InChIKeyNQVYJHFUMNISSO-UWTATZPHSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one (CID 155112669) is (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OC(F)(F)[C@@](F)(C(F)(F)F)O1.
What is the InChIKey of (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is NQVYJHFUMNISSO-UWTATZPHSA-N. The full InChI is InChI=1S/C4F6O3/c5-2(3(6,7)8)4(9,10)13-1(11)12-2/t2-/m1/s1.
What are the key properties of (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one?
(5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 210.03 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 155112669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).