(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one

C6H4F6O3 — CID 131860682

IUPAC(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
SMILESC[C@@H]1OC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C6H4F6O3/c1-2-3(13)15-4(14-2,5(7,8)9)6(10,11)12/h2H,1H3/t2-/m0/s1
InChIKeyWUDVLQYYPUYQKI-REOHCLBHSA-N
MW238.08 g/mol
LogP1.77
Rot. Bonds

About (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one

(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one (PubChem CID 131860682) has the molecular formula C6H4F6O3 and a molecular weight of 238.08 g/mol. Its IUPAC name is (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
PubChem CID131860682
Molecular FormulaC6H4F6O3
Molecular Weight238.08 g/mol
Exact Mass238.01
IUPAC Name(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
SMILESC[C@@H]1OC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C6H4F6O3/c1-2-3(13)15-4(14-2,5(7,8)9)6(10,11)12/h2H,1H3/t2-/m0/s1
InChIKeyWUDVLQYYPUYQKI-REOHCLBHSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one (CID 131860682) is (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one is C[C@@H]1OC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The InChIKey is WUDVLQYYPUYQKI-REOHCLBHSA-N. The full InChI is InChI=1S/C6H4F6O3/c1-2-3(13)15-4(14-2,5(7,8)9)6(10,11)12/h2H,1H3/t2-/m0/s1.
What are the key properties of (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one has a molecular weight of 238.08 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 131860682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).