(4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one

C9H13F3O5 — CID 102355572

IUPAC(4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one
SMILESCOCCOCO[C@H]1CC(=O)O[C@H]1C(F)(F)F
InChIInChI=1S/C9H13F3O5/c1-14-2-3-15-5-16-6-4-7(13)17-8(6)9(10,11)12/h6,8H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyVZTFJQFEYHACBT-POYBYMJQSA-N
MW258.19 g/mol
LogP0.87
Rot. Bonds6

About (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one

(4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one (PubChem CID 102355572) has the molecular formula C9H13F3O5 and a molecular weight of 258.19 g/mol. Its IUPAC name is (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one
PubChem CID102355572
Molecular FormulaC9H13F3O5
Molecular Weight258.19 g/mol
Exact Mass258.07
IUPAC Name(4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one
SMILESCOCCOCO[C@H]1CC(=O)O[C@H]1C(F)(F)F
InChIInChI=1S/C9H13F3O5/c1-14-2-3-15-5-16-6-4-7(13)17-8(6)9(10,11)12/h6,8H,2-5H2,1H3/t6-,8+/m0/s1
InChIKeyVZTFJQFEYHACBT-POYBYMJQSA-N
XLogP0.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(6R,7R)-7-hydroxy-6-(2-methoxyethoxymethoxy)-5,6,7,8-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiocin-2-one
CID 10784503
(4R,5S)-5-cyclopentyl-4-(methoxymethoxy)oxolan-2-one
CID 10398333
2-(2-methoxyethoxymethoxy)cyclopentan-1-ol
CID 71435255
(6R,7R)-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-6,7-bis(2-methoxyethoxymethoxy)-5,6,7,8-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiocine
CID 10746456
3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one
CID 104563937
(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one
CID 11649844
3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
CID 114032115
2-[(1S,2S)-2-(2-methoxyethoxymethoxy)cyclohexyl]acetaldehyde
CID 101178614
(6aR)-5-(methoxymethoxy)-4-(methoxymethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 122698821
(1S,3aS,4S,6aS)-4-(2-methoxyethoxymethoxy)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-ol
CID 102096483
(1S,4S,6S,7R,9R,10S,12S,13R,14R,15S,16S)-10-hydroxy-7-(2-methoxyethoxymethoxy)-12,14-dimethyl-3-oxapentacyclo[11.3.2.04,16.06,15.09,14]octadecane-2,17-dione
CID 11015361
(4R,5S,6S,7R)-1,3-dibenzyl-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(2-phenylethyl)-1,3-diazepan-2-one
CID 10794918

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one (CID 102355572) is (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one is COCCOCO[C@H]1CC(=O)O[C@H]1C(F)(F)F.
What is the InChIKey of (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is VZTFJQFEYHACBT-POYBYMJQSA-N. The full InChI is InChI=1S/C9H13F3O5/c1-14-2-3-15-5-16-6-4-7(13)17-8(6)9(10,11)12/h6,8H,2-5H2,1H3/t6-,8+/m0/s1.
What are the key properties of (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one?
(4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 258.19 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(2-methoxyethoxymethoxy)-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 102355572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).