2-methoxy-5-(trifluoromethylsulfanyl)aniline

C8H8F3NOS — CID 155258853

IUPAC2-methoxy-5-(trifluoromethylsulfanyl)aniline
SMILESCOc1ccc(SC(F)(F)F)cc1N
InChIInChI=1S/C8H8F3NOS/c1-13-7-3-2-5(4-6(7)12)14-8(9,10)11/h2-4H,12H2,1H3
InChIKeyFLASORTYJJTAFP-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.89
Rot. Bonds2

About 2-methoxy-5-(trifluoromethylsulfanyl)aniline

2-methoxy-5-(trifluoromethylsulfanyl)aniline (PubChem CID 155258853) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethylsulfanyl)aniline
PubChem CID155258853
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2-methoxy-5-(trifluoromethylsulfanyl)aniline
SMILESCOc1ccc(SC(F)(F)F)cc1N
InChIInChI=1S/C8H8F3NOS/c1-13-7-3-2-5(4-6(7)12)14-8(9,10)11/h2-4H,12H2,1H3
InChIKeyFLASORTYJJTAFP-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.89
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-methoxy-5-propylsulfanylaniline
CID 97035009
5-[2-(2,3-difluoro-6-methoxyphenyl)propan-2-ylsulfanyl]-2-fluoroaniline
CID 58021958
1-bromo-1-[2-methoxy-5-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 170837180
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
1-chloro-1-[2-methoxy-4-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 170837563
5-(diethylaminoperoxysulfanyl)-2-methoxyaniline
CID 22081933
2-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)propan-2-ylsulfanyl]aniline
CID 58021952
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
4-(trifluoromethylsulfanyl)aniline;hydrochloride
CID 71758701
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-(3,4-dimethoxyphenyl)sulfanylpropan-2-ol
CID 117034552
ethyl 4-(3-amino-4-methoxyphenyl)sulfanylbenzoate
CID 91879059

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(trifluoromethylsulfanyl)aniline?
The IUPAC name of 2-methoxy-5-(trifluoromethylsulfanyl)aniline (CID 155258853) is 2-methoxy-5-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for 2-methoxy-5-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for 2-methoxy-5-(trifluoromethylsulfanyl)aniline is COc1ccc(SC(F)(F)F)cc1N.
What is the InChIKey of 2-methoxy-5-(trifluoromethylsulfanyl)aniline?
The InChIKey is FLASORTYJJTAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-13-7-3-2-5(4-6(7)12)14-8(9,10)11/h2-4H,12H2,1H3.
What are the key properties of 2-methoxy-5-(trifluoromethylsulfanyl)aniline?
2-methoxy-5-(trifluoromethylsulfanyl)aniline has a molecular weight of 223.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 155258853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).