N-fluoro-4-(trifluoromethylsulfanyl)aniline

C7H5F4NS — CID 141223381

IUPACN-fluoro-4-(trifluoromethylsulfanyl)aniline
SMILESFNc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C7H5F4NS/c8-7(9,10)13-6-3-1-5(12-11)2-4-6/h1-4,12H
InChIKeyKNMWLDHUOYHNNZ-UHFFFAOYSA-N
MW211.18 g/mol
LogP3.59
Rot. Bonds2

About N-fluoro-4-(trifluoromethylsulfanyl)aniline

N-fluoro-4-(trifluoromethylsulfanyl)aniline (PubChem CID 141223381) has the molecular formula C7H5F4NS and a molecular weight of 211.18 g/mol. Its IUPAC name is N-fluoro-4-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-fluoro-4-(trifluoromethylsulfanyl)aniline
PubChem CID141223381
Molecular FormulaC7H5F4NS
Molecular Weight211.18 g/mol
Exact Mass211.01
IUPAC NameN-fluoro-4-(trifluoromethylsulfanyl)aniline
SMILESFNc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C7H5F4NS/c8-7(9,10)13-6-3-1-5(12-11)2-4-6/h1-4,12H
InChIKeyKNMWLDHUOYHNNZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
CID 162534995
[4-(trifluoromethylsulfanyl)anilino] acetate
CID 141373039
4-(trifluoromethylsulfanyl)aniline;hydrochloride
CID 71758701
1-tert-butyl-4-(trifluoromethylsulfanyl)benzene
CID 138974007
1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 67046987
N-(3-methylsulfanylpropyl)-4-(trifluoromethylsulfanyl)aniline
CID 43720459
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
1-methyl-4-(trifluoromethylsulfanyl)benzene;molecular fluorine;hydrofluoride
CID 167649765
magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide
CID 133144331
(E)-4-oxo-4-[4-(trifluoromethylsulfanyl)anilino]but-2-enoic acid
CID 699500
1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene
CID 88702436

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-fluoro-4-(trifluoromethylsulfanyl)aniline (CID 141223381) is N-fluoro-4-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-fluoro-4-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-fluoro-4-(trifluoromethylsulfanyl)aniline is FNc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-fluoro-4-(trifluoromethylsulfanyl)aniline?
The InChIKey is KNMWLDHUOYHNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NS/c8-7(9,10)13-6-3-1-5(12-11)2-4-6/h1-4,12H.
What are the key properties of N-fluoro-4-(trifluoromethylsulfanyl)aniline?
N-fluoro-4-(trifluoromethylsulfanyl)aniline has a molecular weight of 211.18 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 141223381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).