[(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate

C22H24F3NO — CID 139250971

IUPAC[(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
SMILESCC(/C=C/CCc1ccccc1)O/C(=N/CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C22H24F3NO/c1-18(10-8-9-15-19-11-4-2-5-12-19)27-21(22(23,24)25)26-17-16-20-13-6-3-7-14-20/h2-8,10-14,18H,9,15-17H2,1H3/b10-8+,26-21+
InChIKeyJCJAUOHNGRYXBI-BGUXHRGTSA-N
MW375.43 g/mol
LogP5.78
Rot. Bonds8

About [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate

[(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate (PubChem CID 139250971) has the molecular formula C22H24F3NO and a molecular weight of 375.43 g/mol. Its IUPAC name is [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate.

Molecular Properties

Compound Name[(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
PubChem CID139250971
Molecular FormulaC22H24F3NO
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
SMILESCC(/C=C/CCc1ccccc1)O/C(=N/CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C22H24F3NO/c1-18(10-8-9-15-19-11-4-2-5-12-19)27-21(22(23,24)25)26-17-16-20-13-6-3-7-14-20/h2-8,10-14,18H,9,15-17H2,1H3/b10-8+,26-21+
InChIKeyJCJAUOHNGRYXBI-BGUXHRGTSA-N
XLogP5.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-5-phenylpent-2-enyl] N-cyclohexyl-2,2,2-trifluoroethanimidate
CID 44470891
[(E,2R)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-hexylethanimidate
CID 101524508
[(E,2R)-pent-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 101524509
[(E,2R)-1,6-diphenylhex-3-en-2-yl] 2,2,2-trifluoro-N-hexylethanimidate
CID 101524511
[(E,2S)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-hexylethanimidate
CID 101524514
[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-(3-methylbutyl)ethanimidate
CID 135078715
[(E)-3-methyl-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-hexylethanimidate
CID 135078800
[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 135079010
[(E)-but-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 135079880
[(E)-4-methylpent-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 135079972
[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-hexylethanimidate
CID 135079973
[(E)-pent-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250961

Frequently Asked Questions

What is the IUPAC name of [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate?
The IUPAC name of [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate (CID 139250971) is [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate.
What is the SMILES notation for [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate?
The canonical SMILES for [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate is CC(/C=C/CCc1ccccc1)O/C(=N/CCc1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate?
The InChIKey is JCJAUOHNGRYXBI-BGUXHRGTSA-N. The full InChI is InChI=1S/C22H24F3NO/c1-18(10-8-9-15-19-11-4-2-5-12-19)27-21(22(23,24)25)26-17-16-20-13-6-3-7-14-20/h2-8,10-14,18H,9,15-17H2,1H3/b10-8+,26-21+.
What are the key properties of [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate?
[(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate has a molecular weight of 375.43 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-phenylhex-3-en-2-yl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate is sourced from PubChem (CID 139250971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).