(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid

C8H12F3NO5 — CID 173075811

IUPAC(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid
SMILESCN[C@H]1OC(C)(C)OC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11NO3.C2HF3O2/c1-6(2)9-4(7-3)5(8)10-6;3-2(4,5)1(6)7/h4,7H,1-3H3;(H,6,7)/t4-;/m0./s1
InChIKeyQJQVWWPNTPRGAZ-WCCKRBBISA-N
MW259.18 g/mol
LogP0.47
Rot. Bonds1

About (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid

(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid (PubChem CID 173075811) has the molecular formula C8H12F3NO5 and a molecular weight of 259.18 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid
PubChem CID173075811
Molecular FormulaC8H12F3NO5
Molecular Weight259.18 g/mol
Exact Mass259.07
IUPAC Name(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid
SMILESCN[C@H]1OC(C)(C)OC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11NO3.C2HF3O2/c1-6(2)9-4(7-3)5(8)10-6;3-2(4,5)1(6)7/h4,7H,1-3H3;(H,6,7)/t4-;/m0./s1
InChIKeyQJQVWWPNTPRGAZ-WCCKRBBISA-N
XLogP0.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid (CID 173075811) is (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid is CN[C@H]1OC(C)(C)OC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is QJQVWWPNTPRGAZ-WCCKRBBISA-N. The full InChI is InChI=1S/C6H11NO3.C2HF3O2/c1-6(2)9-4(7-3)5(8)10-6;3-2(4,5)1(6)7/h4,7H,1-3H3;(H,6,7)/t4-;/m0./s1.
What are the key properties of (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid?
(5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 259.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-(methylamino)-1,3-dioxolan-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 173075811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).