N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H17F3N2 — CID 107494664

IUPACN'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-3-7(2)13(5-4-12)6-8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyQXIBITKHCOUWCM-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.61
Rot. Bonds5

About N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494664) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494664
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC NameN'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-3-7(2)13(5-4-12)6-8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyQXIBITKHCOUWCM-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 114998356
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795
1-N-(2-methylpropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428626
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N-(3-methylbutyl)propanamide
CID 107494666
N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513345
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
3-N-methyl-3-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 60892901
1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64820228

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494664) is N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCC(C)N(CCN)CC(F)(F)F.
What is the InChIKey of N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QXIBITKHCOUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-3-7(2)13(5-4-12)6-8(9,10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).