[(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid

C16H22FO4P — CID 164947524

IUPAC[(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid
SMILESCC(C)O[C@H]1[C@@H](F)[C@H](c2ccccc2)O[C@@H]1/C=C/P(C)(=O)O
InChIInChI=1S/C16H22FO4P/c1-11(2)20-16-13(9-10-22(3,18)19)21-15(14(16)17)12-7-5-4-6-8-12/h4-11,13-16H,1-3H3,(H,18,19)/b10-9+/t13-,14+,15+,16-/m1/s1
InChIKeyQIYROTJLIZHUGV-QXVXDDNNSA-N
MW328.32 g/mol
LogP3.67
Rot. Bonds5

About [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid

[(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid (PubChem CID 164947524) has the molecular formula C16H22FO4P and a molecular weight of 328.32 g/mol. Its IUPAC name is [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid.

Molecular Properties

Compound Name[(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid
PubChem CID164947524
Molecular FormulaC16H22FO4P
Molecular Weight328.32 g/mol
Exact Mass328.12
IUPAC Name[(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid
SMILESCC(C)O[C@H]1[C@@H](F)[C@H](c2ccccc2)O[C@@H]1/C=C/P(C)(=O)O
InChIInChI=1S/C16H22FO4P/c1-11(2)20-16-13(9-10-22(3,18)19)21-15(14(16)17)12-7-5-4-6-8-12/h4-11,13-16H,1-3H3,(H,18,19)/b10-9+/t13-,14+,15+,16-/m1/s1
InChIKeyQIYROTJLIZHUGV-QXVXDDNNSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid
CID 167642670
[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid
CID 164947530
formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid
CID 174069662
(2S,3R,4R,5S)-2-[(E)-2-[bis(2-methoxypropan-2-yloxy)phosphoryl]ethenyl]-4-methoxy-3-methyl-5-phenyloxolane
CID 167606766
2-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]butan-1-one
CID 14288141
methyl (E)-3-[(2S,3S)-3-phenyloxiran-2-yl]prop-2-enoate
CID 11041861
(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane
CID 135545500
(E)-3-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-enal
CID 22845978
phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone
CID 67914032
(2R,3S,4R,6S)-4-ethenyl-3-nitro-6-phenyl-2-propan-2-yloxane
CID 102259797
[(E)-2-[3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]ethenyl]phosphonic acid
CID 146367072
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid?
The IUPAC name of [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid (CID 164947524) is [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid.
What is the SMILES notation for [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid?
The canonical SMILES for [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid is CC(C)O[C@H]1[C@@H](F)[C@H](c2ccccc2)O[C@@H]1/C=C/P(C)(=O)O.
What is the InChIKey of [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid?
The InChIKey is QIYROTJLIZHUGV-QXVXDDNNSA-N. The full InChI is InChI=1S/C16H22FO4P/c1-11(2)20-16-13(9-10-22(3,18)19)21-15(14(16)17)12-7-5-4-6-8-12/h4-11,13-16H,1-3H3,(H,18,19)/b10-9+/t13-,14+,15+,16-/m1/s1.
What are the key properties of [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid?
[(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid has a molecular weight of 328.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid is sourced from PubChem (CID 164947524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).