5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine

C14H13BrFN — CID 22335608

IUPAC5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine
SMILESCc1c(-c2ccc(F)cc2)c(Br)n2c1CCC2
InChIInChI=1S/C14H13BrFN/c1-9-12-3-2-8-17(12)14(15)13(9)10-4-6-11(16)7-5-10/h4-7H,2-3,8H2,1H3
InChIKeyYJPXMUSHLQHTMD-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.31
Rot. Bonds1

About 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine

5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine (PubChem CID 22335608) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine
PubChem CID22335608
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC Name5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine
SMILESCc1c(-c2ccc(F)cc2)c(Br)n2c1CCC2
InChIInChI=1S/C14H13BrFN/c1-9-12-3-2-8-17(12)14(15)13(9)10-4-6-11(16)7-5-10/h4-7H,2-3,8H2,1H3
InChIKeyYJPXMUSHLQHTMD-UHFFFAOYSA-N
XLogP4.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
CID 22335623
2,2,2-trichloro-1-[1-(4-fluorophenyl)-3-propan-2-yl-5,6,7,8-tetrahydroindolizin-2-yl]ethanol
CID 19892485
3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 71531119
2-amino-3-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraen-4-one
CID 71733076
ethyl 2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 155177441
(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 175714245
1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
CID 44662530
2,6-bis(4-fluorophenyl)-N-(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 34638407
3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 84609635
1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592475
4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 162760154
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine (CID 22335608) is 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine is Cc1c(-c2ccc(F)cc2)c(Br)n2c1CCC2.
What is the InChIKey of 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine?
The InChIKey is YJPXMUSHLQHTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-9-12-3-2-8-17(12)14(15)13(9)10-4-6-11(16)7-5-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine?
5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine has a molecular weight of 294.17 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-fluorophenyl)-7-methyl-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 22335608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).