1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine

C11H10Br2F3N — CID 168511656

IUPAC1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cc(Br)cc(Br)c1N1CCCC1
InChIInChI=1S/C11H10Br2F3N/c12-7-5-8(11(14,15)16)10(9(13)6-7)17-3-1-2-4-17/h5-6H,1-4H2
InChIKeyYVUMUORXNRTZKT-UHFFFAOYSA-N
MW373.01 g/mol
LogP4.83
Rot. Bonds1

About 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine

1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 168511656) has the molecular formula C11H10Br2F3N and a molecular weight of 373.01 g/mol. Its IUPAC name is 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID168511656
Molecular FormulaC11H10Br2F3N
Molecular Weight373.01 g/mol
Exact Mass370.91
IUPAC Name1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cc(Br)cc(Br)c1N1CCCC1
InChIInChI=1S/C11H10Br2F3N/c12-7-5-8(11(14,15)16)10(9(13)6-7)17-3-1-2-4-17/h5-6H,1-4H2
InChIKeyYVUMUORXNRTZKT-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.01
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine (CID 168511656) is 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1cc(Br)cc(Br)c1N1CCCC1.
What is the InChIKey of 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is YVUMUORXNRTZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2F3N/c12-7-5-8(11(14,15)16)10(9(13)6-7)17-3-1-2-4-17/h5-6H,1-4H2.
What are the key properties of 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine?
1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 373.01 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dibromo-6-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 168511656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).