2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine

C11H12BrClFN — CID 57146204

IUPAC2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine
SMILESFc1cc(Br)cc(Cl)c1CC1CCCN1
InChIInChI=1S/C11H12BrClFN/c12-7-4-10(13)9(11(14)5-7)6-8-2-1-3-15-8/h4-5,8,15H,1-3,6H2
InChIKeyZROVNRWTAMUPCQ-UHFFFAOYSA-N
MW292.58 g/mol
LogP3.54
Rot. Bonds2

About 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine

2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine (PubChem CID 57146204) has the molecular formula C11H12BrClFN and a molecular weight of 292.58 g/mol. Its IUPAC name is 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine
PubChem CID57146204
Molecular FormulaC11H12BrClFN
Molecular Weight292.58 g/mol
Exact Mass290.98
IUPAC Name2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine
SMILESFc1cc(Br)cc(Cl)c1CC1CCCN1
InChIInChI=1S/C11H12BrClFN/c12-7-4-10(13)9(11(14)5-7)6-8-2-1-3-15-8/h4-5,8,15H,1-3,6H2
InChIKeyZROVNRWTAMUPCQ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168280482
cis-(1R,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168292181
2-[(2-Chloro-6-fluorophenyl)methyl]pyrrolidine hydrochloride
CID 42956327
2-(4-Bromo-2-chlorophenyl)pyrrolidine hydrochloride
CID 134690691
2-[(2-Chloro-6-fluorophenyl)methyl]pyrrolidine
CID 42956328
Pyrrolidine, 2-[(4-bromo-2-fluorophenyl)methyl]-
CID 57183523
(2R)-2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine
CID 57315194
1-(4-Bromo-2-chloro-5-fluorobenzyl)pyrrolidine
CID 67278730
C9H9BrClF2N
CID 91926577
2-[(2-Chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
N-[1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropan-2-amine
CID 117616040
2-(4-Bromo-2-chlorophenyl)-2-fluoroethan-1-amine
CID 118111908

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine (CID 57146204) is 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine is Fc1cc(Br)cc(Cl)c1CC1CCCN1.
What is the InChIKey of 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine?
The InChIKey is ZROVNRWTAMUPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFN/c12-7-4-10(13)9(11(14)5-7)6-8-2-1-3-15-8/h4-5,8,15H,1-3,6H2.
What are the key properties of 2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine?
2-[(4-bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine has a molecular weight of 292.58 g/mol, XLogP of 3.54, 2 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-6-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 57146204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).