4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine

C15H17BrF3NO — CID 11451354

IUPAC4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C(/Br)CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H17BrF3NO/c16-13(7-6-12-4-2-1-3-5-12)14(15(17,18)19)20-8-10-21-11-9-20/h1-5H,6-11H2/b14-13-
InChIKeyNONCKBHQQUBNFW-YPKPFQOOSA-N
MW364.21 g/mol
LogP4.12
Rot. Bonds4

About 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine

4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine (PubChem CID 11451354) has the molecular formula C15H17BrF3NO and a molecular weight of 364.21 g/mol. Its IUPAC name is 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine
PubChem CID11451354
Molecular FormulaC15H17BrF3NO
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC Name4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine
SMILESFC(F)(F)/C(=C(/Br)CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H17BrF3NO/c16-13(7-6-12-4-2-1-3-5-12)14(15(17,18)19)20-8-10-21-11-9-20/h1-5H,6-11H2/b14-13-
InChIKeyNONCKBHQQUBNFW-YPKPFQOOSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Morpholine, 4-(beta-bromophenethyl)-, hydrobromide
CID 3022064
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)-1-bromo-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]morpholine
CID 11359609
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
4-(1-Fluoro-4-phenylbutan-2-yl)morpholine
CID 177853335
(e)-1-Morpholino-3-phenyl-1-propene
CID 11820205
4-[(E)-1-phenylprop-1-en-2-yl]morpholine
CID 14040311

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine?
The IUPAC name of 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine (CID 11451354) is 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine.
What is the SMILES notation for 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine?
The canonical SMILES for 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine is FC(F)(F)/C(=C(/Br)CCc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine?
The InChIKey is NONCKBHQQUBNFW-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H17BrF3NO/c16-13(7-6-12-4-2-1-3-5-12)14(15(17,18)19)20-8-10-21-11-9-20/h1-5H,6-11H2/b14-13-.
What are the key properties of 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine?
4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine has a molecular weight of 364.21 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-bromo-1,1,1-trifluoro-5-phenylpent-2-en-2-yl]morpholine is sourced from PubChem (CID 11451354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).