N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

C11H23F3N2O — CID 54962225

IUPACN'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESCCCN(CCCN)CCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-2-6-16(7-3-5-15)8-4-9-17-10-11(12,13)14/h2-10,15H2,1H3
InChIKeyOELRRZXAGOGACK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.02
Rot. Bonds10

About N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (PubChem CID 54962225) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
PubChem CID54962225
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC NameN'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESCCCN(CCCN)CCCOCC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-2-6-16(7-3-5-15)8-4-9-17-10-11(12,13)14/h2-10,15H2,1H3
InChIKeyOELRRZXAGOGACK-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (CID 54962225) is N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is CCCN(CCCN)CCCOCC(F)(F)F.
What is the InChIKey of N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The InChIKey is OELRRZXAGOGACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-2-6-16(7-3-5-15)8-4-9-17-10-11(12,13)14/h2-10,15H2,1H3.
What are the key properties of N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 54962225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).