4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine

C13H13BrF3NO — CID 11359609

IUPAC4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C(/Br)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H13BrF3NO/c14-11(10-4-2-1-3-5-10)12(13(15,16)17)18-6-8-19-9-7-18/h1-5H,6-9H2/b12-11-
InChIKeyNUXDSMYTQQIJNS-QXMHVHEDSA-N
MW336.15 g/mol
LogP3.64
Rot. Bonds2

About 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine

4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine (PubChem CID 11359609) has the molecular formula C13H13BrF3NO and a molecular weight of 336.15 g/mol. Its IUPAC name is 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
PubChem CID11359609
Molecular FormulaC13H13BrF3NO
Molecular Weight336.15 g/mol
Exact Mass335.01
IUPAC Name4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C(/Br)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H13BrF3NO/c14-11(10-4-2-1-3-5-10)12(13(15,16)17)18-6-8-19-9-7-18/h1-5H,6-9H2/b12-11-
InChIKeyNUXDSMYTQQIJNS-QXMHVHEDSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
CID 14296892
4-[(E)-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine
CID 10859062
4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine
CID 11451354
4-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]morpholine
CID 101539988
4-(2-Fluoro-3-phenylprop-2-enyl)morpholine
CID 134862953
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]morpholine
CID 134932361
4-[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine
CID 134933046
4-[(Z)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]morpholine
CID 134933137
1-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]piperidine
CID 134935757
4-[(E)-1-phenylprop-1-en-2-yl]morpholine
CID 14040311
4-[(E)-2-(4-fluorophenyl)ethenyl]morpholine
CID 12886932
4-[(Z)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-en-2-yl]morpholine
CID 101349979

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine?
The IUPAC name of 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine (CID 11359609) is 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine.
What is the SMILES notation for 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine?
The canonical SMILES for 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine is FC(F)(F)/C(=C(/Br)c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine?
The InChIKey is NUXDSMYTQQIJNS-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H13BrF3NO/c14-11(10-4-2-1-3-5-10)12(13(15,16)17)18-6-8-19-9-7-18/h1-5H,6-9H2/b12-11-.
What are the key properties of 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine?
4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine has a molecular weight of 336.15 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine is sourced from PubChem (CID 11359609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).