3-bromo-N-cyclopropyl-4-fluoroaniline

C9H9BrFN — CID 14987203

IUPAC3-bromo-N-cyclopropyl-4-fluoroaniline
SMILESFc1ccc(NC2CC2)cc1Br
InChIInChI=1S/C9H9BrFN/c10-8-5-7(3-4-9(8)11)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeyFLZMIDQMMUSDMS-UHFFFAOYSA-N
MW230.08 g/mol
LogP3.16
Rot. Bonds2

About 3-bromo-N-cyclopropyl-4-fluoroaniline

3-bromo-N-cyclopropyl-4-fluoroaniline (PubChem CID 14987203) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-4-fluoroaniline.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-4-fluoroaniline
PubChem CID14987203
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name3-bromo-N-cyclopropyl-4-fluoroaniline
SMILESFc1ccc(NC2CC2)cc1Br
InChIInChI=1S/C9H9BrFN/c10-8-5-7(3-4-9(8)11)12-6-1-2-6/h3-6,12H,1-2H2
InChIKeyFLZMIDQMMUSDMS-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-4-fluoroaniline?
The IUPAC name of 3-bromo-N-cyclopropyl-4-fluoroaniline (CID 14987203) is 3-bromo-N-cyclopropyl-4-fluoroaniline.
What is the SMILES notation for 3-bromo-N-cyclopropyl-4-fluoroaniline?
The canonical SMILES for 3-bromo-N-cyclopropyl-4-fluoroaniline is Fc1ccc(NC2CC2)cc1Br.
What is the InChIKey of 3-bromo-N-cyclopropyl-4-fluoroaniline?
The InChIKey is FLZMIDQMMUSDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-5-7(3-4-9(8)11)12-6-1-2-6/h3-6,12H,1-2H2.
What are the key properties of 3-bromo-N-cyclopropyl-4-fluoroaniline?
3-bromo-N-cyclopropyl-4-fluoroaniline has a molecular weight of 230.08 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 3-bromo-N-cyclopropyl-4-fluoroaniline is sourced from PubChem (CID 14987203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).