(2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one

C10H15F3O3 — CID 699731

IUPAC(2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one
SMILESCC(C)(C)[C@@]1(C)O[C@](O)(C(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3O3/c1-7(2,3)8(4)6(14)5-9(15,16-8)10(11,12)13/h15H,5H2,1-4H3/t8-,9-/m0/s1
InChIKeyQSVUWDXQLMDNME-IUCAKERBSA-N
MW240.22 g/mol
LogP2.03
Rot. Bonds

About (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one

(2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one (PubChem CID 699731) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one.

Molecular Properties

Compound Name(2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one
PubChem CID699731
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name(2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one
SMILESCC(C)(C)[C@@]1(C)O[C@](O)(C(F)(F)F)CC1=O
InChIInChI=1S/C10H15F3O3/c1-7(2,3)8(4)6(14)5-9(15,16-8)10(11,12)13/h15H,5H2,1-4H3/t8-,9-/m0/s1
InChIKeyQSVUWDXQLMDNME-IUCAKERBSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one
CID 2880692
(2R,5S)-2-tert-butyl-5-(dichloromethyl)-5-hydroxy-2-methyloxolan-3-one
CID 878019
(4S)-4,6-dimethyl-2,6-bis(trifluoromethyl)oxan-2-ol
CID 118234295
5-tert-butyl-5-hydroxyoxolane-2,3-dione
CID 546373
trans-(2S,5S)-2,5-dihydroxy-2,5-dimethylcyclohexane-1,4-dione
CID 97161679
(2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one
CID 132555185
(2R,4R,6R)-6-methyl-2,4,6-tris(trifluoromethyl)oxane-2,4-diol
CID 98047882
(4S)-4-(1-hydroperoxy-1-methoxyethyl)-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 59968762
(4R,5S)-5-ethoxy-4-methyl-4-(trifluoromethyl)oxolan-2-one
CID 131848912
(7-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2,2-difluoropropanoate
CID 118068769
(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008
(1R,4S,6S)-4-acetyl-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 125113861

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one?
The IUPAC name of (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one (CID 699731) is (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one.
What is the SMILES notation for (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one?
The canonical SMILES for (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one is CC(C)(C)[C@@]1(C)O[C@](O)(C(F)(F)F)CC1=O.
What is the InChIKey of (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one?
The InChIKey is QSVUWDXQLMDNME-IUCAKERBSA-N. The full InChI is InChI=1S/C10H15F3O3/c1-7(2,3)8(4)6(14)5-9(15,16-8)10(11,12)13/h15H,5H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one?
(2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one has a molecular weight of 240.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one is sourced from PubChem (CID 699731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).