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

C11H14F4N2O2S — CID 114900525

IUPACN'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESCCN(CCN)c1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F4N2O2S/c1-2-17(6-5-16)9-4-3-8(12)7-10(9)20(18,19)11(13,14)15/h3-4,7H,2,5-6,16H2,1H3
InChIKeyLUJZPAXHVSYSLT-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.90
Rot. Bonds5

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

N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine (PubChem CID 114900525) has the molecular formula C11H14F4N2O2S and a molecular weight of 314.30 g/mol. Its IUPAC name is N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
PubChem CID114900525
Molecular FormulaC11H14F4N2O2S
Molecular Weight314.30 g/mol
Exact Mass314.07
IUPAC NameN'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESCCN(CCN)c1ccc(F)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F4N2O2S/c1-2-17(6-5-16)9-4-3-8(12)7-10(9)20(18,19)11(13,14)15/h3-4,7H,2,5-6,16H2,1H3
InChIKeyLUJZPAXHVSYSLT-UHFFFAOYSA-N
XLogP1.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine (CID 114900525) is N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine is CCN(CCN)c1ccc(F)cc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The InChIKey is LUJZPAXHVSYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2S/c1-2-17(6-5-16)9-4-3-8(12)7-10(9)20(18,19)11(13,14)15/h3-4,7H,2,5-6,16H2,1H3.
What are the key properties of N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine has a molecular weight of 314.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 114900525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).