1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine

C11H11F3N2O — CID 28951286

IUPAC1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)17-9-5-2-1-4-8(9)16-7-3-6-10(16)15/h1-2,4-5,15H,3,6-7H2/b15-10+
InChIKeySMVHQTLZCYWBIX-XNTDXEJSSA-N
MW244.22 g/mol
LogP3.16
Rot. Bonds2

About 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine

1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine (PubChem CID 28951286) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine
PubChem CID28951286
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)17-9-5-2-1-4-8(9)16-7-3-6-10(16)15/h1-2,4-5,15H,3,6-7H2/b15-10+
InChIKeySMVHQTLZCYWBIX-XNTDXEJSSA-N
XLogP3.16
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine (CID 28951286) is 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine?
The InChIKey is SMVHQTLZCYWBIX-XNTDXEJSSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)17-9-5-2-1-4-8(9)16-7-3-6-10(16)15/h1-2,4-5,15H,3,6-7H2/b15-10+.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine?
1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine has a molecular weight of 244.22 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]pyrrolidin-2-imine is sourced from PubChem (CID 28951286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).