4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline

C10H11BrFN — CID 168966995

IUPAC4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline
SMILESCc1cc(Br)cc(C2(F)CC2)c1N
InChIInChI=1S/C10H11BrFN/c1-6-4-7(11)5-8(9(6)13)10(12)2-3-10/h4-5H,2-3,13H2,1H3
InChIKeyRABXAYAIZHDCPF-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.30
Rot. Bonds1

About 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline

4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline (PubChem CID 168966995) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline.

Molecular Properties

Compound Name4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline
PubChem CID168966995
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline
SMILESCc1cc(Br)cc(C2(F)CC2)c1N
InChIInChI=1S/C10H11BrFN/c1-6-4-7(11)5-8(9(6)13)10(12)2-3-10/h4-5H,2-3,13H2,1H3
InChIKeyRABXAYAIZHDCPF-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline?
The IUPAC name of 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline (CID 168966995) is 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline.
What is the SMILES notation for 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline?
The canonical SMILES for 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline is Cc1cc(Br)cc(C2(F)CC2)c1N.
What is the InChIKey of 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline?
The InChIKey is RABXAYAIZHDCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-6-4-7(11)5-8(9(6)13)10(12)2-3-10/h4-5H,2-3,13H2,1H3.
What are the key properties of 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline?
4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline has a molecular weight of 244.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-fluorocyclopropyl)-6-methylaniline is sourced from PubChem (CID 168966995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).