4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline

C10H9F4NO2S — CID 62866721

IUPAC4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
SMILESC=CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H9F4NO2S/c1-2-5-15-8-4-3-7(11)6-9(8)18(16,17)10(12,13)14/h2-4,6,15H,1,5H2
InChIKeyKUSKEZNOGCZCOJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.72
Rot. Bonds4

About 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline

4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline (PubChem CID 62866721) has the molecular formula C10H9F4NO2S and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
PubChem CID62866721
Molecular FormulaC10H9F4NO2S
Molecular Weight283.25 g/mol
Exact Mass283.03
IUPAC Name4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
SMILESC=CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H9F4NO2S/c1-2-5-15-8-4-3-7(11)6-9(8)18(16,17)10(12,13)14/h2-4,6,15H,1,5H2
InChIKeyKUSKEZNOGCZCOJ-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 55129525
N-(2,2-dimethylbutyl)-4-fluoro-2-(trifluoromethylsulfonyl)aniline
CID 103462427
5-fluoro-2-(prop-2-enylamino)benzoic acid
CID 63674508
3-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
CID 62868100
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
CID 62867932
4-fluoro-2-methyl-N-prop-2-enylaniline
CID 62141811
N-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]propane-1,3-diamine
CID 62893183
4-fluoro-N,2-bis(prop-2-enyl)aniline
CID 45141264
4-fluoro-N-(2H-tetrazol-5-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 62892667
ethyl 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]acetate
CID 62892305
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
CID 133284643
4-fluoro-N-[(4-nitrophenyl)methyl]-2-(trifluoromethylsulfonyl)aniline
CID 133283796

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline (CID 62866721) is 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline is C=CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is KUSKEZNOGCZCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2S/c1-2-5-15-8-4-3-7(11)6-9(8)18(16,17)10(12,13)14/h2-4,6,15H,1,5H2.
What are the key properties of 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline?
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 283.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 62866721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).