N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine

C7H15F3N2S — CID 103102755

IUPACN'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)CCSC(F)(F)F
InChIInChI=1S/C7H15F3N2S/c1-2-12(4-3-11)5-6-13-7(8,9)10/h2-6,11H2,1H3
InChIKeyBGEXIDIUEFRPMZ-UHFFFAOYSA-N
MW216.27 g/mol
LogP1.52
Rot. Bonds6

About N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine

N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine (PubChem CID 103102755) has the molecular formula C7H15F3N2S and a molecular weight of 216.27 g/mol. Its IUPAC name is N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
PubChem CID103102755
Molecular FormulaC7H15F3N2S
Molecular Weight216.27 g/mol
Exact Mass216.09
IUPAC NameN'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)CCSC(F)(F)F
InChIInChI=1S/C7H15F3N2S/c1-2-12(4-3-11)5-6-13-7(8,9)10/h2-6,11H2,1H3
InChIKeyBGEXIDIUEFRPMZ-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
N-(2-bromoethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618150
N-(2-chloroethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 116618077
3-(trifluoromethylsulfanyl)propan-1-amine chloride
CID 75530535
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
2-(trifluoromethylsulfanyl)ethanamine chloride
CID 75530521
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
2-[2-aminoethyl(ethyl)amino]ethanethiol
CID 145098138
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106615318
2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid
CID 116616761
ethyl 2-[propyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetate
CID 116617418

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine (CID 103102755) is N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine is CCN(CCN)CCSC(F)(F)F.
What is the InChIKey of N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine?
The InChIKey is BGEXIDIUEFRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2S/c1-2-12(4-3-11)5-6-13-7(8,9)10/h2-6,11H2,1H3.
What are the key properties of N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine has a molecular weight of 216.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 103102755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).