5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole

C17H17BrFN — CID 142175460

IUPAC5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole
SMILESCC1(F)C=CC(C2CCC(c3ccccc3Br)=N2)=CC1
InChIInChI=1S/C17H17BrFN/c1-17(19)10-8-12(9-11-17)15-6-7-16(20-15)13-4-2-3-5-14(13)18/h2-5,8-10,15H,6-7,11H2,1H3
InChIKeyZTVJGDQCRBIVLC-UHFFFAOYSA-N
MW334.23 g/mol
LogP5.02
Rot. Bonds2

About 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole

5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 142175460) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole
PubChem CID142175460
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole
SMILESCC1(F)C=CC(C2CCC(c3ccccc3Br)=N2)=CC1
InChIInChI=1S/C17H17BrFN/c1-17(19)10-8-12(9-11-17)15-6-7-16(20-15)13-4-2-3-5-14(13)18/h2-5,8-10,15H,6-7,11H2,1H3
InChIKeyZTVJGDQCRBIVLC-UHFFFAOYSA-N
XLogP5.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.23
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole with MolForge

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Related Compounds

6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
1-(2-bromophenyl)-1-(2,6-difluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanimine
CID 101534294
1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 135002725
(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 139182438
(1E)-2-(2-bromophenyl)-1-cyclohexyl-1-azaethene
CID 759356
5-(4-Bromophenyl)-3,4-dihydro-2h-pyrrole
CID 11424611
5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole
CID 135067592
(2R)-2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 9858967
2H-Pyrrole, 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-
CID 10268649
5-(4-bromophenyl)-2-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 21918436
5-(2-bromo-4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 57445076

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole (CID 142175460) is 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole is CC1(F)C=CC(C2CCC(c3ccccc3Br)=N2)=CC1.
What is the InChIKey of 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is ZTVJGDQCRBIVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-17(19)10-8-12(9-11-17)15-6-7-16(20-15)13-4-2-3-5-14(13)18/h2-5,8-10,15H,6-7,11H2,1H3.
What are the key properties of 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole?
5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 334.23 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142175460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).