(E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

C14H14F3NO2 — CID 5353222

IUPAC(E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)12-3-1-2-11(10-12)4-5-13(19)18-6-8-20-9-7-18/h1-5,10H,6-9H2/b5-4+
InChIKeyWPNBCMAJDAVTKX-SNAWJCMRSA-N
MW285.26 g/mol
LogP2.58
Rot. Bonds2

About (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

(E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 5353222) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID5353222
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name(E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)12-3-1-2-11(10-12)4-5-13(19)18-6-8-20-9-7-18/h1-5,10H,6-9H2/b5-4+
InChIKeyWPNBCMAJDAVTKX-SNAWJCMRSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 5353222) is (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is WPNBCMAJDAVTKX-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)12-3-1-2-11(10-12)4-5-13(19)18-6-8-20-9-7-18/h1-5,10H,6-9H2/b5-4+.
What are the key properties of (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one?
(E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 285.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 5353222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).