4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde

C11H11BrF3NO — CID 55010236

IUPAC4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde
SMILESCCN(CC(F)(F)F)c1cc(Br)ccc1C=O
InChIInChI=1S/C11H11BrF3NO/c1-2-16(7-11(13,14)15)10-5-9(12)4-3-8(10)6-17/h3-6H,2,7H2,1H3
InChIKeyCCLLBHBGLBIPEZ-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.65
Rot. Bonds4

About 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde

4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde (PubChem CID 55010236) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde
PubChem CID55010236
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde
SMILESCCN(CC(F)(F)F)c1cc(Br)ccc1C=O
InChIInChI=1S/C11H11BrF3NO/c1-2-16(7-11(13,14)15)10-5-9(12)4-3-8(10)6-17/h3-6H,2,7H2,1H3
InChIKeyCCLLBHBGLBIPEZ-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde?
The IUPAC name of 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde (CID 55010236) is 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde.
What is the SMILES notation for 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde?
The canonical SMILES for 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde is CCN(CC(F)(F)F)c1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde?
The InChIKey is CCLLBHBGLBIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-2-16(7-11(13,14)15)10-5-9(12)4-3-8(10)6-17/h3-6H,2,7H2,1H3.
What are the key properties of 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde?
4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde has a molecular weight of 310.11 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[ethyl(2,2,2-trifluoroethyl)amino]benzaldehyde is sourced from PubChem (CID 55010236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).