2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine

C11H12BrClFN — CID 117472518

IUPAC2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
SMILESCC1(c2ccc(Br)c(F)c2Cl)CCCN1
InChIInChI=1S/C11H12BrClFN/c1-11(5-2-6-15-11)7-3-4-8(12)10(14)9(7)13/h3-4,15H,2,5-6H2,1H3
InChIKeyHVQFPUYWIUOWTA-UHFFFAOYSA-N
MW292.58 g/mol
LogP3.84
Rot. Bonds1

About 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine

2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine (PubChem CID 117472518) has the molecular formula C11H12BrClFN and a molecular weight of 292.58 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
PubChem CID117472518
Molecular FormulaC11H12BrClFN
Molecular Weight292.58 g/mol
Exact Mass290.98
IUPAC Name2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
SMILESCC1(c2ccc(Br)c(F)c2Cl)CCCN1
InChIInChI=1S/C11H12BrClFN/c1-11(5-2-6-15-11)7-3-4-8(12)10(14)9(7)13/h3-4,15H,2,5-6H2,1H3
InChIKeyHVQFPUYWIUOWTA-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117437562
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
2-(4-bromo-2,3,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116947
2-(3-bromo-2,4,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116949
3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
CID 82623381
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine
CID 117432844
2-(4-bromo-3-chloro-2-fluorophenyl)-2-propylpyrrolidine
CID 106762685
(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine (CID 117472518) is 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine is CC1(c2ccc(Br)c(F)c2Cl)CCCN1.
What is the InChIKey of 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine?
The InChIKey is HVQFPUYWIUOWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFN/c1-11(5-2-6-15-11)7-3-4-8(12)10(14)9(7)13/h3-4,15H,2,5-6H2,1H3.
What are the key properties of 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine?
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine has a molecular weight of 292.58 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117472518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).