1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine

C11H13BrFN — CID 60711879

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(CN2CCCC2)c(Br)c1
InChIInChI=1S/C11H13BrFN/c12-11-7-10(13)4-3-9(11)8-14-5-1-2-6-14/h3-4,7H,1-2,5-6,8H2
InChIKeyURVLPLVDVTXGLX-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.18
Rot. Bonds2

About 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine

1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine (PubChem CID 60711879) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
PubChem CID60711879
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
SMILESFc1ccc(CN2CCCC2)c(Br)c1
InChIInChI=1S/C11H13BrFN/c12-11-7-10(13)4-3-9(11)8-14-5-1-2-6-14/h3-4,7H,1-2,5-6,8H2
InChIKeyURVLPLVDVTXGLX-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-chloroethyl)-1,4-diazepane
CID 63388082
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107407691
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 16593308
1-[(2-bromo-4-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazine
CID 55502518
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
N-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-amine
CID 83014067
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 103994039
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine (CID 60711879) is 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine is Fc1ccc(CN2CCCC2)c(Br)c1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine?
The InChIKey is URVLPLVDVTXGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-11-7-10(13)4-3-9(11)8-14-5-1-2-6-14/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine?
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine has a molecular weight of 258.13 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 60711879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).