N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine

C8H19FN2O — CID 80699201

IUPACN'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCF)CCCN
InChIInChI=1S/C8H19FN2O/c1-12-8-7-11(6-3-9)5-2-4-10/h2-8,10H2,1H3
InChIKeyVOGCWPXHQNDGFQ-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.25
Rot. Bonds8

About N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine

N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 80699201) has the molecular formula C8H19FN2O and a molecular weight of 178.25 g/mol. Its IUPAC name is N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID80699201
Molecular FormulaC8H19FN2O
Molecular Weight178.25 g/mol
Exact Mass178.15
IUPAC NameN'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCF)CCCN
InChIInChI=1S/C8H19FN2O/c1-12-8-7-11(6-3-9)5-2-4-10/h2-8,10H2,1H3
InChIKeyVOGCWPXHQNDGFQ-UHFFFAOYSA-N
XLogP0.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 80699201) is N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCF)CCCN.
What is the InChIKey of N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is VOGCWPXHQNDGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O/c1-12-8-7-11(6-3-9)5-2-4-10/h2-8,10H2,1H3.
What are the key properties of N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 178.25 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoroethyl)-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 80699201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).