2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine

C11H11BrF3N — CID 117118294

IUPAC2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine
SMILESFc1cc(Br)c(F)c(CC2CCCN2)c1F
InChIInChI=1S/C11H11BrF3N/c12-8-5-9(13)11(15)7(10(8)14)4-6-2-1-3-16-6/h5-6,16H,1-4H2
InChIKeyDNXIAKWBRGDDNA-UHFFFAOYSA-N
MW294.11 g/mol
LogP3.16
Rot. Bonds2

About 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine

2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine (PubChem CID 117118294) has the molecular formula C11H11BrF3N and a molecular weight of 294.11 g/mol. Its IUPAC name is 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine
PubChem CID117118294
Molecular FormulaC11H11BrF3N
Molecular Weight294.11 g/mol
Exact Mass293.00
IUPAC Name2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine
SMILESFc1cc(Br)c(F)c(CC2CCCN2)c1F
InChIInChI=1S/C11H11BrF3N/c12-8-5-9(13)11(15)7(10(8)14)4-6-2-1-3-16-6/h5-6,16H,1-4H2
InChIKeyDNXIAKWBRGDDNA-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
CID 84813703
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-bromo-3,5-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117471512
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(6-bromo-3-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 117465019
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 117465016
3-bromo-5-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117432721
2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-[(5-bromo-2-fluoro-4-methylphenyl)methyl]piperidine
CID 117461292

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine (CID 117118294) is 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine is Fc1cc(Br)c(F)c(CC2CCCN2)c1F.
What is the InChIKey of 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine?
The InChIKey is DNXIAKWBRGDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N/c12-8-5-9(13)11(15)7(10(8)14)4-6-2-1-3-16-6/h5-6,16H,1-4H2.
What are the key properties of 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine?
2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine has a molecular weight of 294.11 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 117118294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).