5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline

C10H14FNO2S — CID 81186024

IUPAC5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline
SMILESCOCC(C)S(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H14FNO2S/c1-7(6-14-2)15(13)10-4-3-8(11)5-9(10)12/h3-5,7H,6,12H2,1-2H3
InChIKeyFZQXCRSAPLIZFO-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.55
Rot. Bonds4

About 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline

5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline (PubChem CID 81186024) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline
PubChem CID81186024
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline
SMILESCOCC(C)S(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H14FNO2S/c1-7(6-14-2)15(13)10-4-3-8(11)5-9(10)12/h3-5,7H,6,12H2,1-2H3
InChIKeyFZQXCRSAPLIZFO-UHFFFAOYSA-N
XLogP1.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(4-methoxybutan-2-ylsulfinyl)aniline
CID 116500568
2-(1-methoxypropan-2-ylsulfinyl)-4-methylaniline
CID 81184073
2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81185383
2-amino-4-fluorobenzenesulfinate
CID 174459431
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508
4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
CID 104568938
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
2-[(4-ethylphenyl)methylsulfinyl]-5-fluoroaniline
CID 81186273
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
5-fluoro-2-[(5-fluoro-2-methylphenyl)methylsulfinyl]aniline
CID 105376341
4-(2,4-difluorophenyl)sulfinylpentan-2-one
CID 64703683

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline?
The IUPAC name of 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline (CID 81186024) is 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline.
What is the SMILES notation for 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline?
The canonical SMILES for 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline is COCC(C)S(=O)c1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline?
The InChIKey is FZQXCRSAPLIZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-7(6-14-2)15(13)10-4-3-8(11)5-9(10)12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline?
5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline has a molecular weight of 231.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline is sourced from PubChem (CID 81186024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).