2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene

C7H5F4NO3S — CID 146049346

IUPAC2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene
SMILESNc1cc(C(F)(F)F)ccc1OS(=O)(=O)F
InChIInChI=1S/C7H5F4NO3S/c8-7(9,10)4-1-2-6(5(12)3-4)15-16(11,13)14/h1-3H,12H2
InChIKeyOVAROELUWVWBMJ-UHFFFAOYSA-N
MW259.18 g/mol
LogP1.88
Rot. Bonds2

About 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene

2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene (PubChem CID 146049346) has the molecular formula C7H5F4NO3S and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene
PubChem CID146049346
Molecular FormulaC7H5F4NO3S
Molecular Weight259.18 g/mol
Exact Mass258.99
IUPAC Name2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene
SMILESNc1cc(C(F)(F)F)ccc1OS(=O)(=O)F
InChIInChI=1S/C7H5F4NO3S/c8-7(9,10)4-1-2-6(5(12)3-4)15-16(11,13)14/h1-3H,12H2
InChIKeyOVAROELUWVWBMJ-UHFFFAOYSA-N
XLogP1.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenoxy]-4,5-dichlorobenzenesulfonic acid
CID 15285829
2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
CID 2894791
1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
CID 71651266
4-chloro-3-(trifluoromethyl)aniline;2-methoxy-5-(trifluoromethyl)aniline
CID 23137212
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 66487930
2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 26189386
1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
CID 146049122
2-amino-5-(trifluoromethyl)benzenesulfonamide
CID 11333908
2-(difluoromethylsulfonyl)-5-(trifluoromethyl)aniline
CID 81176179
2-(2-methylpentoxy)-5-(trifluoromethyl)aniline
CID 45075240
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene?
The IUPAC name of 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene (CID 146049346) is 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene is Nc1cc(C(F)(F)F)ccc1OS(=O)(=O)F.
What is the InChIKey of 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene?
The InChIKey is OVAROELUWVWBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO3S/c8-7(9,10)4-1-2-6(5(12)3-4)15-16(11,13)14/h1-3H,12H2.
What are the key properties of 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene?
2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene has a molecular weight of 259.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-fluorosulfonyloxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 146049346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).