N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine

C10H12F4N2O2S — CID 62891099

IUPACN'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F4N2O2S/c1-16(5-4-15)8-3-2-7(11)6-9(8)19(17,18)10(12,13)14/h2-3,6H,4-5,15H2,1H3
InChIKeyXEIVMRSYPACYHG-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.51
Rot. Bonds4

About N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine

N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine (PubChem CID 62891099) has the molecular formula C10H12F4N2O2S and a molecular weight of 300.28 g/mol. Its IUPAC name is N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine
PubChem CID62891099
Molecular FormulaC10H12F4N2O2S
Molecular Weight300.28 g/mol
Exact Mass300.06
IUPAC NameN'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F4N2O2S/c1-16(5-4-15)8-3-2-7(11)6-9(8)19(17,18)10(12,13)14/h2-3,6H,4-5,15H2,1H3
InChIKeyXEIVMRSYPACYHG-UHFFFAOYSA-N
XLogP1.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 114900525
4-fluoro-N-methyl-N-phenylmethoxy-2-(trifluoromethylsulfonyl)aniline
CID 133423223
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
CID 62867932
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493900
N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 63765318
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
CID 62866721
N-(2,2-dimethylbutyl)-4-fluoro-2-(trifluoromethylsulfonyl)aniline
CID 103462427
N-(2-aminoethyl)-2,4-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493948
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 55129525
4-fluoro-N-(1-methoxypropan-2-yl)-2-(trifluoromethylsulfonyl)aniline
CID 62891619
ethyl 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]acetate
CID 62892305

Frequently Asked Questions

What is the IUPAC name of N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine (CID 62891099) is N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine is CN(CCN)c1ccc(F)cc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine?
The InChIKey is XEIVMRSYPACYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O2S/c1-16(5-4-15)8-3-2-7(11)6-9(8)19(17,18)10(12,13)14/h2-3,6H,4-5,15H2,1H3.
What are the key properties of N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine?
N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine has a molecular weight of 300.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62891099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).