(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate

C9H10F3NO4 — CID 138731977

IUPAC(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate
SMILESO=C(/C=C/[C@@H]1CNCCO1)OC(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO4/c10-9(11,12)8(15)17-7(14)2-1-6-5-13-3-4-16-6/h1-2,6,13H,3-5H2/b2-1+/t6-/m1/s1
InChIKeyRFJFZLFRCGZFOX-UGQQDIOTSA-N
MW253.18 g/mol
LogP0.16
Rot. Bonds2

About (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate

(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate (PubChem CID 138731977) has the molecular formula C9H10F3NO4 and a molecular weight of 253.18 g/mol. Its IUPAC name is (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate.

Molecular Properties

Compound Name(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate
PubChem CID138731977
Molecular FormulaC9H10F3NO4
Molecular Weight253.18 g/mol
Exact Mass253.06
IUPAC Name(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate
SMILESO=C(/C=C/[C@@H]1CNCCO1)OC(=O)C(F)(F)F
InChIInChI=1S/C9H10F3NO4/c10-9(11,12)8(15)17-7(14)2-1-6-5-13-3-4-16-6/h1-2,6,13H,3-5H2/b2-1+/t6-/m1/s1
InChIKeyRFJFZLFRCGZFOX-UGQQDIOTSA-N
XLogP0.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Ethenylmorpholine; trifluoroacetic acid
CID 146049591
(E)-3-[(2R)-morpholin-2-yl]but-2-enoic acid;2,2,2-trifluoroacetic acid
CID 138731950
(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]but-2-enoate
CID 138731953
(E)-3-[(2R)-Morpholin-2-yl]prop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 138731976
(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]but-2-eneperoxoate
CID 141701488
1,2,3,6-Tetrahydropyridin-3-yl 2,2,2-trifluoroacetate
CID 146628719
(Z)-2-fluoro-3-morpholin-2-ylprop-2-enal
CID 175589234
(2R)-2-[(1R)-2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one
CID 11470069
2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-furan-5-one
CID 72974156
Methyl 3-morpholin-2-ylprop-2-enoate
CID 123596848
(E)-3-[(2R)-Morpholin-2-yl]prop-2-enoic acid
CID 134533960
(E)-3-(Morpholin-2-yl)acrylic acid
CID 139341878

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate?
The IUPAC name of (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate (CID 138731977) is (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate.
What is the SMILES notation for (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate?
The canonical SMILES for (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate is O=C(/C=C/[C@@H]1CNCCO1)OC(=O)C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate?
The InChIKey is RFJFZLFRCGZFOX-UGQQDIOTSA-N. The full InChI is InChI=1S/C9H10F3NO4/c10-9(11,12)8(15)17-7(14)2-1-6-5-13-3-4-16-6/h1-2,6,13H,3-5H2/b2-1+/t6-/m1/s1.
What are the key properties of (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate?
(2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate has a molecular weight of 253.18 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoroacetyl) (E)-3-[(2R)-morpholin-2-yl]prop-2-enoate is sourced from PubChem (CID 138731977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).