N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine

C9H20F2N2 — CID 107494500

IUPACN'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)CN(CCN)CC(F)F
InChIInChI=1S/C9H20F2N2/c1-3-8(2)6-13(5-4-12)7-9(10)11/h8-9H,3-7,12H2,1-2H3
InChIKeyIEPOXAFDOARQBY-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.56
Rot. Bonds7

About N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine (PubChem CID 107494500) has the molecular formula C9H20F2N2 and a molecular weight of 194.27 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
PubChem CID107494500
Molecular FormulaC9H20F2N2
Molecular Weight194.27 g/mol
Exact Mass194.16
IUPAC NameN'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)CN(CCN)CC(F)F
InChIInChI=1S/C9H20F2N2/c1-3-8(2)6-13(5-4-12)7-9(10)11/h8-9H,3-7,12H2,1-2H3
InChIKeyIEPOXAFDOARQBY-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,2-difluoroethyl)-N'-ethylethane-1,2-diamine;dihydrochloride
CID 75493602
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N,N-diethylacetamide
CID 107494429
N'-(2-ethylbutyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 82928107
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464
2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide
CID 107494484
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
CID 107494982
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 107494621
2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol
CID 107484772
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine (CID 107494500) is N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine is CCC(C)CN(CCN)CC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine?
The InChIKey is IEPOXAFDOARQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2/c1-3-8(2)6-13(5-4-12)7-9(10)11/h8-9H,3-7,12H2,1-2H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine has a molecular weight of 194.27 g/mol, XLogP of 1.56, 7 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'-(2-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 107494500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).