N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C11H23F3N2 — CID 62255869

IUPACN,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(C)(CC)CNC
InChIInChI=1S/C11H23F3N2/c1-5-10(3,7-15-4)8-16(6-2)9-11(12,13)14/h15H,5-9H2,1-4H3
InChIKeyVFRVRAJGARUQPY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.51
Rot. Bonds7

About N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62255869) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62255869
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(C)(CC)CNC
InChIInChI=1S/C11H23F3N2/c1-5-10(3,7-15-4)8-16(6-2)9-11(12,13)14/h15H,5-9H2,1-4H3
InChIKeyVFRVRAJGARUQPY-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62255869) is N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CC(F)(F)F)CC(C)(CC)CNC.
What is the InChIKey of N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is VFRVRAJGARUQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-5-10(3,7-15-4)8-16(6-2)9-11(12,13)14/h15H,5-9H2,1-4H3.
What are the key properties of N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62255869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).