1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine

C10H10BrFN2 — CID 104779800

IUPAC1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc(F)c(Br)c1
InChIInChI=1S/C10H10BrFN2/c11-8-6-7(3-4-9(8)12)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+
InChIKeyUHSXRFUWBUOWNO-JLHYYAGUSA-N
MW257.11 g/mol
LogP3.17
Rot. Bonds1

About 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine

1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine (PubChem CID 104779800) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine
PubChem CID104779800
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc(F)c(Br)c1
InChIInChI=1S/C10H10BrFN2/c11-8-6-7(3-4-9(8)12)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+
InChIKeyUHSXRFUWBUOWNO-JLHYYAGUSA-N
XLogP3.17
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chlorophenyl)pyrrolidin-2-imine
CID 107613345
2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
CID 62315767
1-(2-bromo-5-chlorophenyl)pyrrolidin-2-imine
CID 81279925
1-naphthalen-2-ylpyrrolidin-2-imine
CID 60722830
1-(6-bromonaphthalen-2-yl)piperidin-2-imine
CID 81260115
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
1-(2,4-difluorophenyl)pyrrolidin-2-imine
CID 4007146
1-(2,4-dibromophenyl)pyrrolidin-2-imine
CID 61474511
1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-2-imine
CID 65490840
1-(2-bromo-5-fluorophenyl)piperidin-2-imine
CID 107636513
4-(2-iminopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 65484359
1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine
CID 63180024

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine (CID 104779800) is 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine?
The InChIKey is UHSXRFUWBUOWNO-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H10BrFN2/c11-8-6-7(3-4-9(8)12)14-5-1-2-10(14)13/h3-4,6,13H,1-2,5H2/b13-10+.
What are the key properties of 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine?
1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine has a molecular weight of 257.11 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine is sourced from PubChem (CID 104779800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).