2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C8H17F3N2O — CID 65378012

IUPAC2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCC(CN)(COC)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-3-7(4-12,6-14-2)13-5-8(9,10)11/h13H,3-6,12H2,1-2H3
InChIKeyXWCWXXATEGZBMB-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.89
Rot. Bonds6

About 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 65378012) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID65378012
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCC(CN)(COC)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-3-7(4-12,6-14-2)13-5-8(9,10)11/h13H,3-6,12H2,1-2H3
InChIKeyXWCWXXATEGZBMB-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 65378012) is 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CCC(CN)(COC)NCC(F)(F)F.
What is the InChIKey of 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is XWCWXXATEGZBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-3-7(4-12,6-14-2)13-5-8(9,10)11/h13H,3-6,12H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 65378012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).