(E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine

C14H17F3N2O — CID 10613190

IUPAC(E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine
SMILESCOC(/C=N/N1CCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-20-13(14(15,16)17,12-7-3-2-4-8-12)11-18-19-9-5-6-10-19/h2-4,7-8,11H,5-6,9-10H2,1H3/b18-11+
InChIKeyAFAUYTYUHMEKIO-WOJGMQOQSA-N
MW286.30 g/mol
LogP3.17
Rot. Bonds4

About (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine

(E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine (PubChem CID 10613190) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine
PubChem CID10613190
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine
SMILESCOC(/C=N/N1CCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-20-13(14(15,16)17,12-7-3-2-4-8-12)11-18-19-9-5-6-10-19/h2-4,7-8,11H,5-6,9-10H2,1H3/b18-11+
InChIKeyAFAUYTYUHMEKIO-WOJGMQOQSA-N
XLogP3.17
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3E)-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-2-methylpropan-2-ol
CID 177556163
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
N-[(E)-[(2R)-3,3-difluoro-2-phenylmethoxybutylidene]amino]-N-methylmethanamine
CID 15038955
(3E)-1,1,1-trifluoro-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2-phenylpropan-2-ol
CID 10567403
(E)-2-benzyl-3,3,3-trifluoro-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10571562
(3E)-1,1,1-trifluoro-3-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-2-phenylpropan-2-ol
CID 10595452
(E)-2-benzyl-3,3,3-trifluoro-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10719380
(E)-3,3,3-trifluoro-2-phenyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10832478
(E)-2-phenylmethoxy-N-pyrrolidin-1-yl-2-(trifluoromethyl)nonan-1-imine
CID 10833916
(E)-2-benzyl-3,3,3-trifluoro-2-methoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10851756
(3E)-2-benzyl-1,1,1-trifluoro-3-pyrrolidin-1-yliminopropan-2-ol
CID 15852813
(3E)-1,1,1-trifluoro-2-phenyl-3-pyrrolidin-1-yliminopropan-2-ol
CID 15893171

Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine?
The IUPAC name of (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine (CID 10613190) is (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine.
What is the SMILES notation for (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine?
The canonical SMILES for (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine is COC(/C=N/N1CCCC1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine?
The InChIKey is AFAUYTYUHMEKIO-WOJGMQOQSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-20-13(14(15,16)17,12-7-3-2-4-8-12)11-18-19-9-5-6-10-19/h2-4,7-8,11H,5-6,9-10H2,1H3/b18-11+.
What are the key properties of (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine?
(E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine has a molecular weight of 286.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-2-methoxy-2-phenyl-N-pyrrolidin-1-ylpropan-1-imine is sourced from PubChem (CID 10613190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).