4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline

C10H12BrF2NO — CID 65467258

IUPAC4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline
SMILESCCOCCNc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H12BrF2NO/c1-2-15-4-3-14-10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4H2,1H3
InChIKeyTYWHNIQOENAZTA-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.18
Rot. Bonds5

About 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline

4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline (PubChem CID 65467258) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline
PubChem CID65467258
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline
SMILESCCOCCNc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H12BrF2NO/c1-2-15-4-3-14-10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4H2,1H3
InChIKeyTYWHNIQOENAZTA-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline (CID 65467258) is 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline is CCOCCNc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline?
The InChIKey is TYWHNIQOENAZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-2-15-4-3-14-10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4H2,1H3.
What are the key properties of 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline?
4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline has a molecular weight of 280.11 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethoxyethyl)-2,6-difluoroaniline is sourced from PubChem (CID 65467258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).