[(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate

C10H17FO3 — CID 90307032

IUPAC[(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate
SMILESCC[C@H]1O[C@@H](OC(C)=O)C(C)(F)[C@H]1C
InChIInChI=1S/C10H17FO3/c1-5-8-6(2)10(4,11)9(14-8)13-7(3)12/h6,8-9H,5H2,1-4H3/t6-,8+,9+,10?/m0/s1
InChIKeyXZPBKYNUGICZOX-CEPLBNANSA-N
MW204.24 g/mol
LogP2.05
Rot. Bonds2

About [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate

[(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate (PubChem CID 90307032) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate
PubChem CID90307032
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name[(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate
SMILESCC[C@H]1O[C@@H](OC(C)=O)C(C)(F)[C@H]1C
InChIInChI=1S/C10H17FO3/c1-5-8-6(2)10(4,11)9(14-8)13-7(3)12/h6,8-9H,5H2,1-4H3/t6-,8+,9+,10?/m0/s1
InChIKeyXZPBKYNUGICZOX-CEPLBNANSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate
CID 58049102
(2R,3R,4R)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane
CID 58069404
(2R,3R,5R)-5-ethyl-3-fluoro-2-methoxy-3,4-dimethyloxolane
CID 58142638
[(2R)-5-ethyl-3-fluorooxolan-2-yl] acetate
CID 59927521
[(2R,5S)-5-ethyl-3-fluorooxolan-2-yl] acetate
CID 89639297
[(2S,5R)-5-ethyl-3-fluorooxolan-2-yl] acetate
CID 89639303
[(3R,4S,5R)-2-acetyloxy-5-ethyl-5-(fluoromethyl)-4-methyloxolan-3-yl] acetate
CID 117797749
[(2R,3R,4S,5R)-2-acetyloxy-5-ethyl-5-(fluoromethyl)-4-methyloxolan-3-yl] acetate
CID 117797754
(2R,3R,4S)-2-ethyl-4-fluoro-5-methoxy-3-methyloxolane
CID 118119120
[(2R,3R,4S,5R)-2-acetyloxy-5-(difluoromethyl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 118300180
[(3R,4S,5R)-2-acetyloxy-5-(difluoromethyl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 118300196
[(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate
CID 118594394

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate?
The IUPAC name of [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate (CID 90307032) is [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate.
What is the SMILES notation for [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate?
The canonical SMILES for [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate is CC[C@H]1O[C@@H](OC(C)=O)C(C)(F)[C@H]1C.
What is the InChIKey of [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate?
The InChIKey is XZPBKYNUGICZOX-CEPLBNANSA-N. The full InChI is InChI=1S/C10H17FO3/c1-5-8-6(2)10(4,11)9(14-8)13-7(3)12/h6,8-9H,5H2,1-4H3/t6-,8+,9+,10?/m0/s1.
What are the key properties of [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate?
[(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate has a molecular weight of 204.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl] acetate is sourced from PubChem (CID 90307032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).