2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene

C13H10F2NO3S- — CID 57227288

IUPAC2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene
SMILESO=S([O-])Nc1ccccc1COc1ccc(F)cc1F
InChIInChI=1S/C13H11F2NO3S/c14-10-5-6-13(11(15)7-10)19-8-9-3-1-2-4-12(9)16-20(17)18/h1-7,16H,8H2,(H,17,18)/p-1
InChIKeyXIIQHFUEIFWYOL-UHFFFAOYSA-M
MW298.29 g/mol
LogP2.75
Rot. Bonds5

About 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene

2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene (PubChem CID 57227288) has the molecular formula C13H10F2NO3S- and a molecular weight of 298.29 g/mol. Its IUPAC name is 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene
PubChem CID57227288
Molecular FormulaC13H10F2NO3S-
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC Name2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene
SMILESO=S([O-])Nc1ccccc1COc1ccc(F)cc1F
InChIInChI=1S/C13H11F2NO3S/c14-10-5-6-13(11(15)7-10)19-8-9-3-1-2-4-12(9)16-20(17)18/h1-7,16H,8H2,(H,17,18)/p-1
InChIKeyXIIQHFUEIFWYOL-UHFFFAOYSA-M
XLogP2.75
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Benzyloxyaniline
CID 22860
3-Benzyloxyaniline
CID 92892
2-Benzyloxyaniline
CID 240548
4-(2-Phenylethoxy)aniline
CID 3026856
3-(Phenoxymethyl)aniline
CID 427435
4-[(4-Iodophenyl)methoxy]aniline
CID 65501638
4-Benzyloxyaniline hydrochloride
CID 2723831
Aniline, p-(3-phenylpropoxy)-
CID 42154
4-(Phenoxymethyl)aniline
CID 12712561
N-(4-phenylmethoxyphenyl)methanesulfonamide
CID 669037
2-[(4-Iodophenyl)methoxy]aniline
CID 65498771
3-[(4-Iodophenyl)methoxy]aniline
CID 65498772

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene?
The IUPAC name of 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene (CID 57227288) is 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene.
What is the SMILES notation for 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene?
The canonical SMILES for 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene is O=S([O-])Nc1ccccc1COc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene?
The InChIKey is XIIQHFUEIFWYOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11F2NO3S/c14-10-5-6-13(11(15)7-10)19-8-9-3-1-2-4-12(9)16-20(17)18/h1-7,16H,8H2,(H,17,18)/p-1.
What are the key properties of 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene?
2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene has a molecular weight of 298.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[[2-(sulfinatoamino)phenyl]methoxy]benzene is sourced from PubChem (CID 57227288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).