3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine

C11H23F3N2O — CID 55004585

IUPAC3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CN)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-9(5-2)16(6-7-17-3)10(8-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3
InChIKeyYDTKYPGPFOJFQD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.01
Rot. Bonds8

About 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine

3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 55004585) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
PubChem CID55004585
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CCOC)C(CN)C(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-4-9(5-2)16(6-7-17-3)10(8-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3
InChIKeyYDTKYPGPFOJFQD-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine (CID 55004585) is 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)N(CCOC)C(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is YDTKYPGPFOJFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-4-9(5-2)16(6-7-17-3)10(8-15)11(12,13)14/h9-10H,4-8,15H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine?
3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 55004585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).