2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine

C14H17BrFN — CID 79708745

IUPAC2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
SMILESFc1cc(Br)cc(CC2(C3CC3)CCCN2)c1
InChIInChI=1S/C14H17BrFN/c15-12-6-10(7-13(16)8-12)9-14(11-2-3-11)4-1-5-17-14/h6-8,11,17H,1-5,9H2
InChIKeyYBXOXEBSCOFEFH-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.66
Rot. Bonds3

About 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine

2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine (PubChem CID 79708745) has the molecular formula C14H17BrFN and a molecular weight of 298.20 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
PubChem CID79708745
Molecular FormulaC14H17BrFN
Molecular Weight298.20 g/mol
Exact Mass297.05
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
SMILESFc1cc(Br)cc(CC2(C3CC3)CCCN2)c1
InChIInChI=1S/C14H17BrFN/c15-12-6-10(7-13(16)8-12)9-14(11-2-3-11)4-1-5-17-14/h6-8,11,17H,1-5,9H2
InChIKeyYBXOXEBSCOFEFH-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79708908
2-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466031
2-[(3-bromo-5-fluorophenyl)methyl]-2-methylazepane
CID 79708666
2-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79117461
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
2-[(2-bromophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66468305
2-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]pyrrolidine
CID 66466946
2-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 114856133
1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466260
3-[(3-bromo-5-fluorophenyl)methyl]-3-methylazetidine
CID 79711008

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine (CID 79708745) is 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine is Fc1cc(Br)cc(CC2(C3CC3)CCCN2)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine?
The InChIKey is YBXOXEBSCOFEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN/c15-12-6-10(7-13(16)8-12)9-14(11-2-3-11)4-1-5-17-14/h6-8,11,17H,1-5,9H2.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine?
2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine has a molecular weight of 298.20 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-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylpyrrolidine is sourced from PubChem (CID 79708745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).