[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate

C8H11FO4 — CID 102572845

IUPAC[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate
SMILESCC1(C)COC(=O)[C@H]1OC(=O)CF
InChIInChI=1S/C8H11FO4/c1-8(2)4-12-7(11)6(8)13-5(10)3-9/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyRCYGORNKQZXQLD-ZCFIWIBFSA-N
MW190.17 g/mol
LogP0.45
Rot. Bonds2

About [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate

[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate (PubChem CID 102572845) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate.

Molecular Properties

Compound Name[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate
PubChem CID102572845
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate
SMILESCC1(C)COC(=O)[C@H]1OC(=O)CF
InChIInChI=1S/C8H11FO4/c1-8(2)4-12-7(11)6(8)13-5(10)3-9/h6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyRCYGORNKQZXQLD-ZCFIWIBFSA-N
XLogP0.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

0-Acetylpantolactone
CID 193092
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] butanoate
CID 13848056
(3R)-3-ethenoxy-4,4-dimethyloxolan-2-one
CID 11116295
3,3-Dimethyl-2-methoxymethoxy-4-butanolide
CID 85085352
(3R)-3-Methoxy-4,4-dimethyloxolan-2-one
CID 13407496
(2-Oxooxolan-3-yl) 2-methyl-2-(trifluoromethyl)butanoate
CID 20764967
(4,4-Dimethyl-2-oxooxolan-3-yl) 2,2,2-trifluoroacetate
CID 53761373
(2-Oxooxolan-3-yl) 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methylbutanoate
CID 57676290
(4,4-Dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57760197
[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 57811073
(2-Oxooxolan-3-yl) 2-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)butanoate
CID 58051831
[1-Oxo-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-yl] 2,2-dimethylbutanoate
CID 58100429

Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate?
The IUPAC name of [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate (CID 102572845) is [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate.
What is the SMILES notation for [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate?
The canonical SMILES for [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate is CC1(C)COC(=O)[C@H]1OC(=O)CF.
What is the InChIKey of [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate?
The InChIKey is RCYGORNKQZXQLD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11FO4/c1-8(2)4-12-7(11)6(8)13-5(10)3-9/h6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate?
[(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate has a molecular weight of 190.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] 2-fluoroacetate is sourced from PubChem (CID 102572845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).