tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate

C17H21FO4 — CID 134951567

IUPACtert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate
SMILESC[C@@H](F)[C@@]1(C(=O)OC(C)(C)C)OC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C17H21FO4/c1-11(18)17(15(20)22-16(2,3)4)13(10-14(19)21-17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13+,17-/m1/s1
InChIKeyMGMNSGZPTVJNCQ-BTJLNZGRSA-N
MW308.35 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate

tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate (PubChem CID 134951567) has the molecular formula C17H21FO4 and a molecular weight of 308.35 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate
PubChem CID134951567
Molecular FormulaC17H21FO4
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Nametert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate
SMILESC[C@@H](F)[C@@]1(C(=O)OC(C)(C)C)OC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C17H21FO4/c1-11(18)17(15(20)22-16(2,3)4)13(10-14(19)21-17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13+,17-/m1/s1
InChIKeyMGMNSGZPTVJNCQ-BTJLNZGRSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate (CID 134951567) is tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate is C[C@@H](F)[C@@]1(C(=O)OC(C)(C)C)OC(=O)C[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate?
The InChIKey is MGMNSGZPTVJNCQ-BTJLNZGRSA-N. The full InChI is InChI=1S/C17H21FO4/c1-11(18)17(15(20)22-16(2,3)4)13(10-14(19)21-17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13+,17-/m1/s1.
What are the key properties of tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate?
tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate has a molecular weight of 308.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-2-[(1R)-1-fluoroethyl]-5-oxo-3-phenyloxolane-2-carboxylate is sourced from PubChem (CID 134951567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).