N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride

C6H16Cl2F2N2 — CID 75493602

IUPACN'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride
SMILESCCN(CCN)CC(F)F.Cl.Cl
InChIInChI=1S/C6H14F2N2.2ClH/c1-2-10(4-3-9)5-6(7)8;;/h6H,2-5,9H2,1H3;2*1H
InChIKeyXMIGRFLZKBXCKW-UHFFFAOYSA-N
MW225.11 g/mol
LogP1.38
Rot. Bonds5

About N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride

N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride (PubChem CID 75493602) has the molecular formula C6H16Cl2F2N2 and a molecular weight of 225.11 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride
PubChem CID75493602
Molecular FormulaC6H16Cl2F2N2
Molecular Weight225.11 g/mol
Exact Mass224.07
IUPAC NameN'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride
SMILESCCN(CCN)CC(F)F.Cl.Cl
InChIInChI=1S/C6H14F2N2.2ClH/c1-2-10(4-3-9)5-6(7)8;;/h6H,2-5,9H2,1H3;2*1H
InChIKeyXMIGRFLZKBXCKW-UHFFFAOYSA-N
XLogP1.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 107494500
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide
CID 107494429
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79662145
2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide
CID 107494484
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 107494621
N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 107494419
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
2-[2-aminoethyl(ethyl)amino]ethanethiol
CID 145098138
N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 107494442

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride (CID 75493602) is N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride is CCN(CCN)CC(F)F.Cl.Cl.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride?
The InChIKey is XMIGRFLZKBXCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2.2ClH/c1-2-10(4-3-9)5-6(7)8;;/h6H,2-5,9H2,1H3;2*1H.
What are the key properties of N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride?
N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride has a molecular weight of 225.11 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 75493602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).