1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene

C14H13FO2S — CID 102940814

IUPAC1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene
SMILESO=S(COCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H13FO2S/c15-13-7-4-8-14(9-13)18(16)11-17-10-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyXENPKDPOVQWPQI-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.11
Rot. Bonds5

About 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene

1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene (PubChem CID 102940814) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene
PubChem CID102940814
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene
SMILESO=S(COCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H13FO2S/c15-13-7-4-8-14(9-13)18(16)11-17-10-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyXENPKDPOVQWPQI-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(phenylmethoxymethylsulfinyl)aniline
CID 102940390
bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504461
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
1-fluoro-3-[2-(2-methylpropoxy)ethylsulfinyl]benzene
CID 106458393
benzyl benzenesulfinate
CID 14197759
[4-[3-(3-fluorophenyl)sulfinylpropoxy]phenyl]methanamine
CID 81333382
3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole
CID 130927637
1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 63791219
4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline
CID 102941211
1-(3-fluorophenyl)sulfinyl-3-methoxypropan-2-amine
CID 107508854
2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940587
1-fluoro-3-[(R)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859236

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene?
The IUPAC name of 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene (CID 102940814) is 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene.
What is the SMILES notation for 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene?
The canonical SMILES for 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene is O=S(COCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene?
The InChIKey is XENPKDPOVQWPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c15-13-7-4-8-14(9-13)18(16)11-17-10-12-5-2-1-3-6-12/h1-9H,10-11H2.
What are the key properties of 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene?
1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene has a molecular weight of 264.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene is sourced from PubChem (CID 102940814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).