3-fluoro-4-(methoxymethylsulfanyl)aniline

C8H10FNOS — CID 65364452

IUPAC3-fluoro-4-(methoxymethylsulfanyl)aniline
SMILESCOCSc1ccc(N)cc1F
InChIInChI=1S/C8H10FNOS/c1-11-5-12-8-3-2-6(10)4-7(8)9/h2-4H,5,10H2,1H3
InChIKeyDBVWPMOFXLGKSE-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.10
Rot. Bonds3

About 3-fluoro-4-(methoxymethylsulfanyl)aniline

3-fluoro-4-(methoxymethylsulfanyl)aniline (PubChem CID 65364452) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-fluoro-4-(methoxymethylsulfanyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(methoxymethylsulfanyl)aniline
PubChem CID65364452
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name3-fluoro-4-(methoxymethylsulfanyl)aniline
SMILESCOCSc1ccc(N)cc1F
InChIInChI=1S/C8H10FNOS/c1-11-5-12-8-3-2-6(10)4-7(8)9/h2-4H,5,10H2,1H3
InChIKeyDBVWPMOFXLGKSE-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-fluorophenyl)sulfanyl-3-methoxypropan-2-ol
CID 63931345
4-(2-aminoethylsulfanyl)-3-fluoroaniline
CID 61320399
5-fluoro-2-(methoxymethylsulfanyl)aniline
CID 65364453
3-fluoro-4-(3-methoxy-3-methylbutyl)sulfanylaniline
CID 103033986
4-(3,3-diethoxypropylsulfanyl)-3-fluoroaniline
CID 81093940
3-fluoro-4-(3-methylbutylsulfanyl)aniline
CID 43303733
3-fluoro-4-pentylsulfanylaniline
CID 43303727
4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline
CID 43303811
3-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 66103511
3-(4-amino-2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 60962249
4-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-3-methoxyaniline
CID 79830533
propan-2-yl 2-(4-amino-2-fluorophenyl)sulfanylacetate
CID 43303372

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methoxymethylsulfanyl)aniline?
The IUPAC name of 3-fluoro-4-(methoxymethylsulfanyl)aniline (CID 65364452) is 3-fluoro-4-(methoxymethylsulfanyl)aniline.
What is the SMILES notation for 3-fluoro-4-(methoxymethylsulfanyl)aniline?
The canonical SMILES for 3-fluoro-4-(methoxymethylsulfanyl)aniline is COCSc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-(methoxymethylsulfanyl)aniline?
The InChIKey is DBVWPMOFXLGKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-11-5-12-8-3-2-6(10)4-7(8)9/h2-4H,5,10H2,1H3.
What are the key properties of 3-fluoro-4-(methoxymethylsulfanyl)aniline?
3-fluoro-4-(methoxymethylsulfanyl)aniline has a molecular weight of 187.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methoxymethylsulfanyl)aniline is sourced from PubChem (CID 65364452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).