2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine

C13H13F3N2 — CID 162585797

IUPAC2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine
SMILESN=C=CC1(c2ccc(C(F)(F)F)cc2)CCNC1
InChIInChI=1S/C13H13F3N2/c14-13(15,16)11-3-1-10(2-4-11)12(5-7-17)6-8-18-9-12/h1-5,17-18H,6,8-9H2
InChIKeyMEISYJGGHHBNOC-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.74
Rot. Bonds2

About 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine

2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine (PubChem CID 162585797) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine
PubChem CID162585797
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine
SMILESN=C=CC1(c2ccc(C(F)(F)F)cc2)CCNC1
InChIInChI=1S/C13H13F3N2/c14-13(15,16)11-3-1-10(2-4-11)12(5-7-17)6-8-18-9-12/h1-5,17-18H,6,8-9H2
InChIKeyMEISYJGGHHBNOC-UHFFFAOYSA-N
XLogP2.74
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 116999995
3-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrrolidine
CID 171092981
(2S)-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
CID 139543309
3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrrolidin-3-ol;hydrochloride
CID 171092805
(3S)-3-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 89317969
1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
CID 69409357
(1R,8S)-1-[4-(trifluoromethyl)phenyl]-4-azabicyclo[6.1.0]nonane
CID 125492690
(1S,5S)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 58088333
(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 143783814
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972
4-(4-fluorophenyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 11842630

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine?
The IUPAC name of 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine (CID 162585797) is 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine.
What is the SMILES notation for 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine?
The canonical SMILES for 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine is N=C=CC1(c2ccc(C(F)(F)F)cc2)CCNC1.
What is the InChIKey of 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine?
The InChIKey is MEISYJGGHHBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c14-13(15,16)11-3-1-10(2-4-11)12(5-7-17)6-8-18-9-12/h1-5,17-18H,6,8-9H2.
What are the key properties of 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine?
2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine has a molecular weight of 254.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethenimine is sourced from PubChem (CID 162585797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).