(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine

C10H10F10N2O — CID 146243712

IUPAC(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine
SMILESCN(/C(=C/F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H10F10N2O/c1-21(10(18,19)20)7(2-11)22-3-5(8(12,13)14)23-6(4-22)9(15,16)17/h2,5-6H,3-4H2,1H3/b7-2-
InChIKeyGHSZESFEPMYMDJ-UQCOIBPSSA-N
MW364.18 g/mol
LogP3.40
Rot. Bonds2

About (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine

(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine (PubChem CID 146243712) has the molecular formula C10H10F10N2O and a molecular weight of 364.18 g/mol. Its IUPAC name is (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine.

Molecular Properties

Compound Name(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine
PubChem CID146243712
Molecular FormulaC10H10F10N2O
Molecular Weight364.18 g/mol
Exact Mass364.06
IUPAC Name(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine
SMILESCN(/C(=C/F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H10F10N2O/c1-21(10(18,19)20)7(2-11)22-3-5(8(12,13)14)23-6(4-22)9(15,16)17/h2,5-6H,3-4H2,1H3/b7-2-
InChIKeyGHSZESFEPMYMDJ-UQCOIBPSSA-N
XLogP3.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The IUPAC name of (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine (CID 146243712) is (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine.
What is the SMILES notation for (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The canonical SMILES for (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine is CN(/C(=C/F)N1CC(C(F)(F)F)OC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine?
The InChIKey is GHSZESFEPMYMDJ-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H10F10N2O/c1-21(10(18,19)20)7(2-11)22-3-5(8(12,13)14)23-6(4-22)9(15,16)17/h2,5-6H,3-4H2,1H3/b7-2-.
What are the key properties of (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine?
(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine has a molecular weight of 364.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2-fluoro-N-methyl-N-(trifluoromethyl)ethenamine is sourced from PubChem (CID 146243712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).