4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine

C8H17F3N2O — CID 61427183

IUPAC4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
SMILESCOCCN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-13(5-6-14-2)7(3-4-12)8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyJYJPQGBWXVUMIT-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.84
Rot. Bonds6

About 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine

4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine (PubChem CID 61427183) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
PubChem CID61427183
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
SMILESCOCCN(C)C(CCN)C(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-13(5-6-14-2)7(3-4-12)8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyJYJPQGBWXVUMIT-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine (CID 61427183) is 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine is COCCN(C)C(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is JYJPQGBWXVUMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-13(5-6-14-2)7(3-4-12)8(9,10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine?
4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 61427183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).