(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine

C11H6F16N2O — CID 135169454

IUPAC(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESF/C(=C(\N1CC(C(F)(F)F)OC(C(F)(F)F)C1)N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F16N2O/c12-5(9(19,20)21)6(29(10(22,23)24)11(25,26)27)28-1-3(7(13,14)15)30-4(2-28)8(16,17)18/h3-4H,1-2H2/b6-5+
InChIKeyBNFTWWYGHFIGRS-AATRIKPKSA-N
MW486.15 g/mol
LogP5.22
Rot. Bonds2

About (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine

(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine (PubChem CID 135169454) has the molecular formula C11H6F16N2O and a molecular weight of 486.15 g/mol. Its IUPAC name is (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine
PubChem CID135169454
Molecular FormulaC11H6F16N2O
Molecular Weight486.15 g/mol
Exact Mass486.02
IUPAC Name(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESF/C(=C(\N1CC(C(F)(F)F)OC(C(F)(F)F)C1)N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F16N2O/c12-5(9(19,20)21)6(29(10(22,23)24)11(25,26)27)28-1-3(7(13,14)15)30-4(2-28)8(16,17)18/h3-4H,1-2H2/b6-5+
InChIKeyBNFTWWYGHFIGRS-AATRIKPKSA-N
XLogP5.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.15
LogP ≤ 55.22
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 (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine (CID 135169454) is (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine is F/C(=C(\N1CC(C(F)(F)F)OC(C(F)(F)F)C1)N(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is BNFTWWYGHFIGRS-AATRIKPKSA-N. The full InChI is InChI=1S/C11H6F16N2O/c12-5(9(19,20)21)6(29(10(22,23)24)11(25,26)27)28-1-3(7(13,14)15)30-4(2-28)8(16,17)18/h3-4H,1-2H2/b6-5+.
What are the key properties of (E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
(E)-1-[2,6-bis(trifluoromethyl)morpholin-4-yl]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 486.15 g/mol, XLogP of 5.22, 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]-2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 135169454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).