(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine

C19H27F3N2O — CID 162414091

IUPAC(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine
SMILESCCCCC(C)C1CCCN1/C(=N/OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H27F3N2O/c1-3-4-9-15(2)17-12-8-13-24(17)18(19(20,21)22)23-25-14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,3-4,8-9,12-14H2,1-2H3/b23-18+
InChIKeyRHOJJPMOSSTRHH-PTGBLXJZSA-N
MW356.43 g/mol
LogP5.37
Rot. Bonds7

About (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine

(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine (PubChem CID 162414091) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine
PubChem CID162414091
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine
SMILESCCCCC(C)C1CCCN1/C(=N/OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H27F3N2O/c1-3-4-9-15(2)17-12-8-13-24(17)18(19(20,21)22)23-25-14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,3-4,8-9,12-14H2,1-2H3/b23-18+
InChIKeyRHOJJPMOSSTRHH-PTGBLXJZSA-N
XLogP5.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.37
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4,4-dimethyl-2-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]-2,2,2-trifluoro-N-phenylmethoxyethanimine
CID 162414087
(E)-2,2,2-trifluoro-1-(2-hexyl-4,4-diphenylpyrrolidin-1-yl)-N-phenylmethoxyethanimine
CID 162414089
3-(4-Methylpiperidin-1-yl)-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 89012480
5-Phenyl-3-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 58126491
(E)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
CID 59788102
1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
CID 72562457
(Z)-1-(1-methylpyrrolidin-2-yl)-N-phenylmethoxymethanimine
CID 91160321
(2S)-2-methyl-N-phenylmethoxypiperidine-1-carboximidate
CID 163495513
(E)-5-methyl-N,1-bis(phenylmethoxy)pyrrolidin-2-imine
CID 11461066
N,N-diethyl-5-phenyl-4,5-dihydro-1,2-oxazol-3-amine
CID 102287091

Frequently Asked Questions

What is the IUPAC name of (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine?
The IUPAC name of (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine (CID 162414091) is (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine is CCCCC(C)C1CCCN1/C(=N/OCc1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine?
The InChIKey is RHOJJPMOSSTRHH-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H27F3N2O/c1-3-4-9-15(2)17-12-8-13-24(17)18(19(20,21)22)23-25-14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,3-4,8-9,12-14H2,1-2H3/b23-18+.
What are the key properties of (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine?
(E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine has a molecular weight of 356.43 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,2-trifluoro-1-(2-hexan-2-ylpyrrolidin-1-yl)-N-phenylmethoxyethanimine is sourced from PubChem (CID 162414091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).