1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine

C11H11BrF3N — CID 71651466

IUPAC1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cccc(Br)c1N1CCCC1
InChIInChI=1S/C11H11BrF3N/c12-9-5-3-4-8(11(13,14)15)10(9)16-6-1-2-7-16/h3-5H,1-2,6-7H2
InChIKeyQVAOYTKXPHHLIC-UHFFFAOYSA-N
MW294.11 g/mol
LogP4.07
Rot. Bonds1

About 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine

1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 71651466) has the molecular formula C11H11BrF3N and a molecular weight of 294.11 g/mol. Its IUPAC name is 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID71651466
Molecular FormulaC11H11BrF3N
Molecular Weight294.11 g/mol
Exact Mass293.00
IUPAC Name1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cccc(Br)c1N1CCCC1
InChIInChI=1S/C11H11BrF3N/c12-9-5-3-4-8(11(13,14)15)10(9)16-6-1-2-7-16/h3-5H,1-2,6-7H2
InChIKeyQVAOYTKXPHHLIC-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine (CID 71651466) is 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1cccc(Br)c1N1CCCC1.
What is the InChIKey of 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is QVAOYTKXPHHLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N/c12-9-5-3-4-8(11(13,14)15)10(9)16-6-1-2-7-16/h3-5H,1-2,6-7H2.
What are the key properties of 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine?
1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 294.11 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 71651466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).