3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine

C12H15BrFN — CID 115050591

IUPAC3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine
SMILESCN1CCC(C(F)c2ccccc2Br)C1
InChIInChI=1S/C12H15BrFN/c1-15-7-6-9(8-15)12(14)10-4-2-3-5-11(10)13/h2-5,9,12H,6-8H2,1H3
InChIKeyHFZMRICLBOKHON-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.41
Rot. Bonds2

About 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine

3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine (PubChem CID 115050591) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine
PubChem CID115050591
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine
SMILESCN1CCC(C(F)c2ccccc2Br)C1
InChIInChI=1S/C12H15BrFN/c1-15-7-6-9(8-15)12(14)10-4-2-3-5-11(10)13/h2-5,9,12H,6-8H2,1H3
InChIKeyHFZMRICLBOKHON-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 151465
(2-(4-Bromophenyl)ethyl)dimethylamine
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[2-(3-Bromo-phenyl)-ethyl]-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10470687
[2-(4-Bromo-phenyl)-ethyl]-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10470688
2-(2-bromophenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
CID 45259923
3-bromo-N,N-dimethylBenzeneethanamine
CID 18367548
4-(3-Bromophenyl)-1-methyl-1,2,3,6-tetrahydropyridine
CID 189336
4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10634535
2-[(2-Bromophenyl)methyl]pyrrolidine
CID 12024988
3-((4-Bromophenyl)methyl)pyrrolidine
CID 60145902
3-[(3-Bromophenyl)methyl]pyrrolidine
CID 77174571
3-(2-Bromophenyl)pyrrolidine hydrochloride
CID 91654979

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine?
The IUPAC name of 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine (CID 115050591) is 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine?
The canonical SMILES for 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine is CN1CCC(C(F)c2ccccc2Br)C1.
What is the InChIKey of 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine?
The InChIKey is HFZMRICLBOKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-15-7-6-9(8-15)12(14)10-4-2-3-5-11(10)13/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine?
3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine has a molecular weight of 272.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)-fluoromethyl]-1-methylpyrrolidine is sourced from PubChem (CID 115050591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).