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

C9H15FO3 — CID 58049102

IUPAC[(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)C(F)[C@H]1C
InChIInChI=1S/C9H15FO3/c1-4-7-5(2)8(10)9(13-7)12-6(3)11/h5,7-9H,4H2,1-3H3/t5-,7+,8?,9?/m0/s1
InChIKeyDVRSUJZUHHSISD-DDZPJZBBSA-N
MW190.21 g/mol
LogP1.66
Rot. Bonds2

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

[(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate (PubChem CID 58049102) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate.

Molecular Properties

Compound Name[(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate
PubChem CID58049102
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name[(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)C(F)[C@H]1C
InChIInChI=1S/C9H15FO3/c1-4-7-5(2)8(10)9(13-7)12-6(3)11/h5,7-9H,4H2,1-3H3/t5-,7+,8?,9?/m0/s1
InChIKeyDVRSUJZUHHSISD-DDZPJZBBSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate?
The IUPAC name of [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate (CID 58049102) is [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate.
What is the SMILES notation for [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate?
The canonical SMILES for [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate is CC[C@H]1OC(OC(C)=O)C(F)[C@H]1C.
What is the InChIKey of [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate?
The InChIKey is DVRSUJZUHHSISD-DDZPJZBBSA-N. The full InChI is InChI=1S/C9H15FO3/c1-4-7-5(2)8(10)9(13-7)12-6(3)11/h5,7-9H,4H2,1-3H3/t5-,7+,8?,9?/m0/s1.
What are the key properties of [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate?
[(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate has a molecular weight of 190.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl] acetate is sourced from PubChem (CID 58049102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).