1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole

C13H13BrF3N — CID 143482506

IUPAC1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole
SMILESCC1=CCC(C)N1c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13BrF3N/c1-8-3-4-9(2)18(8)12-6-10(13(15,16)17)5-11(14)7-12/h3,5-7,9H,4H2,1-2H3
InChIKeyLVSDLNIEZLBREU-UHFFFAOYSA-N
MW320.15 g/mol
LogP4.97
Rot. Bonds1

About 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole

1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole (PubChem CID 143482506) has the molecular formula C13H13BrF3N and a molecular weight of 320.15 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole
PubChem CID143482506
Molecular FormulaC13H13BrF3N
Molecular Weight320.15 g/mol
Exact Mass319.02
IUPAC Name1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole
SMILESCC1=CCC(C)N1c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13BrF3N/c1-8-3-4-9(2)18(8)12-6-10(13(15,16)17)5-11(14)7-12/h3,5-7,9H,4H2,1-2H3
InChIKeyLVSDLNIEZLBREU-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole (CID 143482506) is 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole is CC1=CCC(C)N1c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole?
The InChIKey is LVSDLNIEZLBREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N/c1-8-3-4-9(2)18(8)12-6-10(13(15,16)17)5-11(14)7-12/h3,5-7,9H,4H2,1-2H3.
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole?
1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole has a molecular weight of 320.15 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)phenyl]-2,5-dimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 143482506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).