2-fluoro-4-(methoxymethylsulfinyl)aniline

C8H10FNO2S — CID 81191003

IUPAC2-fluoro-4-(methoxymethylsulfinyl)aniline
SMILESCOCS(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C8H10FNO2S/c1-12-5-13(11)6-2-3-8(10)7(9)4-6/h2-4H,5,10H2,1H3
InChIKeyKJJCVDNBZDPEJM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.12
Rot. Bonds3

About 2-fluoro-4-(methoxymethylsulfinyl)aniline

2-fluoro-4-(methoxymethylsulfinyl)aniline (PubChem CID 81191003) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-fluoro-4-(methoxymethylsulfinyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(methoxymethylsulfinyl)aniline
PubChem CID81191003
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name2-fluoro-4-(methoxymethylsulfinyl)aniline
SMILESCOCS(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C8H10FNO2S/c1-12-5-13(11)6-2-3-8(10)7(9)4-6/h2-4H,5,10H2,1H3
InChIKeyKJJCVDNBZDPEJM-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.12
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

2-fluoro-4-pentylsulfinylaniline
CID 81190922
4-(2,2-difluoroethylsulfinyl)-2-fluoroaniline
CID 81190420
2-fluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 81191169
2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline
CID 81192299
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879980
3-(methoxymethylsulfinyl)aniline
CID 81180021
2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide
CID 81190581
3-(4-amino-3-fluorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81190997
4-amino-3-fluorobenzenesulfinic acid
CID 57017127
2-fluoro-4-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81191175
4-[(3,4-dichlorophenyl)methylsulfinyl]-2-fluoroaniline
CID 81190837
2-fluoro-4-[(1-methylpyrazol-3-yl)methylsulfinyl]aniline
CID 82882069

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methoxymethylsulfinyl)aniline?
The IUPAC name of 2-fluoro-4-(methoxymethylsulfinyl)aniline (CID 81191003) is 2-fluoro-4-(methoxymethylsulfinyl)aniline.
What is the SMILES notation for 2-fluoro-4-(methoxymethylsulfinyl)aniline?
The canonical SMILES for 2-fluoro-4-(methoxymethylsulfinyl)aniline is COCS(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methoxymethylsulfinyl)aniline?
The InChIKey is KJJCVDNBZDPEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-12-5-13(11)6-2-3-8(10)7(9)4-6/h2-4H,5,10H2,1H3.
What are the key properties of 2-fluoro-4-(methoxymethylsulfinyl)aniline?
2-fluoro-4-(methoxymethylsulfinyl)aniline has a molecular weight of 203.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methoxymethylsulfinyl)aniline is sourced from PubChem (CID 81191003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).