2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine

C13H17BrFN — CID 66466909

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine
SMILESCCC1(Cc2cc(Br)ccc2F)CCCN1
InChIInChI=1S/C13H17BrFN/c1-2-13(6-3-7-16-13)9-10-8-11(14)4-5-12(10)15/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyWNTSVXVMFQMJPD-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.66
Rot. Bonds3

About 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine

2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine (PubChem CID 66466909) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine
PubChem CID66466909
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine
SMILESCCC1(Cc2cc(Br)ccc2F)CCCN1
InChIInChI=1S/C13H17BrFN/c1-2-13(6-3-7-16-13)9-10-8-11(14)4-5-12(10)15/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyWNTSVXVMFQMJPD-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466031
2-[(4-chloro-2-fluorophenyl)methyl]-2-ethylazepane
CID 114856386
2-[(4-bromo-2-fluorophenyl)methyl]-2-propylazepane
CID 79118020
2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine
CID 79743122
2-[(2-bromophenyl)methyl]-2-ethylpiperidine
CID 115058886
2-[(2,5-dichlorophenyl)methyl]-2-ethylazepane
CID 79116804
2-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 104688287
4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 106798566
2-[(3-bromo-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 105411973
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 104688281
(2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine
CID 68850908
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine (CID 66466909) is 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine is CCC1(Cc2cc(Br)ccc2F)CCCN1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine?
The InChIKey is WNTSVXVMFQMJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-2-13(6-3-7-16-13)9-10-8-11(14)4-5-12(10)15/h4-5,8,16H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine?
2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine has a molecular weight of 286.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine is sourced from PubChem (CID 66466909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).