[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate

C8H7F7O4 — CID 130305806

IUPAC[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate
SMILESCCC(=O)OC1C(F)(F)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H7F7O4/c1-2-3(16)18-4-5(9,10)7(17,8(13,14)15)19-6(4,11)12/h4,17H,2H2,1H3
InChIKeyGNMYWHFVWFLSCR-UHFFFAOYSA-N
MW300.13 g/mol
LogP1.82
Rot. Bonds2

About [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate

[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate (PubChem CID 130305806) has the molecular formula C8H7F7O4 and a molecular weight of 300.13 g/mol. Its IUPAC name is [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate.

Molecular Properties

Compound Name[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate
PubChem CID130305806
Molecular FormulaC8H7F7O4
Molecular Weight300.13 g/mol
Exact Mass300.02
IUPAC Name[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate
SMILESCCC(=O)OC1C(F)(F)OC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H7F7O4/c1-2-3(16)18-4-5(9,10)7(17,8(13,14)15)19-6(4,11)12/h4,17H,2H2,1H3
InChIKeyGNMYWHFVWFLSCR-UHFFFAOYSA-N
XLogP1.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,3,5,5-tetrafluoro-2-hydroxy-6,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate
CID 88981389
3,3,5,5-tetrafluoro-4,6,6-trimethyl-2-(trifluoromethyl)oxan-2-ol
CID 134222472
[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-iodo-2-methylbutanoate
CID 134565476
(4,4-difluoro-3-propanoyloxyoxolan-2-yl)methyl propanoate
CID 156755734
1,1,1,2,3,3,3-heptafluoropropan-2-yl propanoate
CID 154086915
[(2S,3R,5R,6R)-2,3,4,5,6-pentaacetyloxycyclohexyl] propanoate
CID 124851501
propanoyl (113C)propanoate
CID 91179573
propanoyl 2,2,3,3,3-pentafluoropropanoate
CID 22105194
2-fluorobutan-2-yl propanoate
CID 158975712
[(3R,4S,5R,6R)-6-hydroxy-4,5-di(propanoyloxy)oxan-3-yl] propanoate
CID 137357258
4,5-diamino-5-ethoxycarbonyl-2,6-dihydroxy-2-methyl-4-(2-methylpropyl)-6-(trifluoromethyl)oxane-3-carboxylic acid
CID 162565541
(2-methylcyclohexyl) propanoate
CID 546179

Frequently Asked Questions

What is the IUPAC name of [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate?
The IUPAC name of [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate (CID 130305806) is [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate.
What is the SMILES notation for [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate?
The canonical SMILES for [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate is CCC(=O)OC1C(F)(F)OC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate?
The InChIKey is GNMYWHFVWFLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7O4/c1-2-3(16)18-4-5(9,10)7(17,8(13,14)15)19-6(4,11)12/h4,17H,2H2,1H3.
What are the key properties of [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate?
[2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate has a molecular weight of 300.13 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,4,4-tetrafluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] propanoate is sourced from PubChem (CID 130305806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).