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

C9H8F10N2O — CID 135169552

IUPAC(E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESF/C(=C(\N1CCOCC1)N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F10N2O/c10-5(7(11,12)13)6(20-1-3-22-4-2-20)21(8(14,15)16)9(17,18)19/h1-4H2/b6-5+
InChIKeyUENTWWYCALOMBL-AATRIKPKSA-N
MW350.16 g/mol
LogP3.36
Rot. Bonds2

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

(E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine (PubChem CID 135169552) has the molecular formula C9H8F10N2O and a molecular weight of 350.16 g/mol. Its IUPAC name is (E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine
PubChem CID135169552
Molecular FormulaC9H8F10N2O
Molecular Weight350.16 g/mol
Exact Mass350.05
IUPAC Name(E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESF/C(=C(\N1CCOCC1)N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F10N2O/c10-5(7(11,12)13)6(20-1-3-22-4-2-20)21(8(14,15)16)9(17,18)19/h1-4H2/b6-5+
InChIKeyUENTWWYCALOMBL-AATRIKPKSA-N
XLogP3.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.36
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)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of (E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine (CID 135169552) is (E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for (E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine is F/C(=C(\N1CCOCC1)N(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is UENTWWYCALOMBL-AATRIKPKSA-N. The full InChI is InChI=1S/C9H8F10N2O/c10-5(7(11,12)13)6(20-1-3-22-4-2-20)21(8(14,15)16)9(17,18)19/h1-4H2/b6-5+.
What are the key properties of (E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
(E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 350.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 135169552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).