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

C10H6F14N2O — CID 135169452

IUPAC1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine
SMILESFC(F)=C(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F14N2O/c11-5(12)6(26(9(19,20)21)10(22,23)24)25-1-3(7(13,14)15)27-4(2-25)8(16,17)18/h3-4H,1-2H2
InChIKeySLZHAYXGYMAHEE-UHFFFAOYSA-N
MW436.14 g/mol
LogP4.59
Rot. Bonds2

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

1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine (PubChem CID 135169452) has the molecular formula C10H6F14N2O and a molecular weight of 436.14 g/mol. Its IUPAC name is 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine.

Molecular Properties

Compound Name1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine
PubChem CID135169452
Molecular FormulaC10H6F14N2O
Molecular Weight436.14 g/mol
Exact Mass436.03
IUPAC Name1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine
SMILESFC(F)=C(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F14N2O/c11-5(12)6(26(9(19,20)21)10(22,23)24)25-1-3(7(13,14)15)27-4(2-25)8(16,17)18/h3-4H,1-2H2
InChIKeySLZHAYXGYMAHEE-UHFFFAOYSA-N
XLogP4.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.14
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine?
The IUPAC name of 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine (CID 135169452) is 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine.
What is the SMILES notation for 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine?
The canonical SMILES for 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine is FC(F)=C(N1CC(C(F)(F)F)OC(C(F)(F)F)C1)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine?
The InChIKey is SLZHAYXGYMAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F14N2O/c11-5(12)6(26(9(19,20)21)10(22,23)24)25-1-3(7(13,14)15)27-4(2-25)8(16,17)18/h3-4H,1-2H2.
What are the key properties of 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine?
1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine has a molecular weight of 436.14 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,2-difluoro-N,N-bis(trifluoromethyl)ethenamine is sourced from PubChem (CID 135169452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).