(5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one

C6H7F3O3 — CID 10631329

IUPAC(5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one
SMILESO=C1O[C@H](CO)CC1C(F)(F)F
InChIInChI=1S/C6H7F3O3/c7-6(8,9)4-1-3(2-10)12-5(4)11/h3-4,10H,1-2H2/t3-,4?/m0/s1
InChIKeyWZEMMRTUVDLCKZ-WUCPZUCCSA-N
MW184.11 g/mol
LogP0.47
Rot. Bonds1

About (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one

(5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one (PubChem CID 10631329) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one
PubChem CID10631329
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Name(5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one
SMILESO=C1O[C@H](CO)CC1C(F)(F)F
InChIInChI=1S/C6H7F3O3/c7-6(8,9)4-1-3(2-10)12-5(4)11/h3-4,10H,1-2H2/t3-,4?/m0/s1
InChIKeyWZEMMRTUVDLCKZ-WUCPZUCCSA-N
XLogP0.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one (CID 10631329) is (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one is O=C1O[C@H](CO)CC1C(F)(F)F.
What is the InChIKey of (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one?
The InChIKey is WZEMMRTUVDLCKZ-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H7F3O3/c7-6(8,9)4-1-3(2-10)12-5(4)11/h3-4,10H,1-2H2/t3-,4?/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one?
(5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one has a molecular weight of 184.11 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 10631329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).