[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite

C10H12FO4S- — CID 89164243

IUPAC[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite
SMILESO=S([O-])OC[C@@H](F)COCc1ccccc1
InChIInChI=1S/C10H13FO4S/c11-10(8-15-16(12)13)7-14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/p-1/t10-/m0/s1
InChIKeyFDTXGVOOQCUXJE-JTQLQIEISA-M
MW247.27 g/mol
LogP1.35
Rot. Bonds7

About [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite

[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite (PubChem CID 89164243) has the molecular formula C10H12FO4S- and a molecular weight of 247.27 g/mol. Its IUPAC name is [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite.

Molecular Properties

Compound Name[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite
PubChem CID89164243
Molecular FormulaC10H12FO4S-
Molecular Weight247.27 g/mol
Exact Mass247.04
IUPAC Name[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite
SMILESO=S([O-])OC[C@@H](F)COCc1ccccc1
InChIInChI=1S/C10H13FO4S/c11-10(8-15-16(12)13)7-14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/p-1/t10-/m0/s1
InChIKeyFDTXGVOOQCUXJE-JTQLQIEISA-M
XLogP1.35
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoropropoxymethylbenzene
CID 86233522
(2-fluoro-3-phenylmethoxypropyl) trifluoromethanesulfonate
CID 76649585
2-fluorobutoxymethylbenzene
CID 121368179
[(2R)-3-chloro-2-fluoropropoxy]methylbenzene
CID 69067716
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
3-(2-fluoro-3-phenylmethoxypropoxy)benzaldehyde
CID 83853943
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
2-phenylpropyl sulfite
CID 123803116
2-phenylmethoxyethane-1,1-diol
CID 59866645
2,2-dibromoethoxymethylbenzene
CID 14668834
2-(3-fluoro-4-phenylmethoxybutyl)triazole
CID 134462837
(4-phenylphenyl)methyl sulfite
CID 175522755

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite?
The IUPAC name of [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite (CID 89164243) is [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite.
What is the SMILES notation for [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite?
The canonical SMILES for [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite is O=S([O-])OC[C@@H](F)COCc1ccccc1.
What is the InChIKey of [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite?
The InChIKey is FDTXGVOOQCUXJE-JTQLQIEISA-M. The full InChI is InChI=1S/C10H13FO4S/c11-10(8-15-16(12)13)7-14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/p-1/t10-/m0/s1.
What are the key properties of [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite?
[(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite has a molecular weight of 247.27 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-fluoro-3-phenylmethoxypropyl] sulfite is sourced from PubChem (CID 89164243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).