2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine

C11H23F3N2 — CID 166734924

IUPAC2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine
SMILESCCC(CC(CN)C(C)NC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-9(6-11(12,13)14)5-10(7-15)8(2)16-3/h8-10,16H,4-7,15H2,1-3H3
InChIKeyXNMNUFVEYPISQG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.54
Rot. Bonds7

About 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine

2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine (PubChem CID 166734924) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine
PubChem CID166734924
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine
SMILESCCC(CC(CN)C(C)NC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-9(6-11(12,13)14)5-10(7-15)8(2)16-3/h8-10,16H,4-7,15H2,1-3H3
InChIKeyXNMNUFVEYPISQG-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine (CID 166734924) is 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine is CCC(CC(CN)C(C)NC)CC(F)(F)F.
What is the InChIKey of 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is XNMNUFVEYPISQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-4-9(6-11(12,13)14)5-10(7-15)8(2)16-3/h8-10,16H,4-7,15H2,1-3H3.
What are the key properties of 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine?
2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,4,4-trifluorobutyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 166734924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).