4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline

C10H12BrF2N — CID 60921488

IUPAC4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCC(F)F
InChIInChI=1S/C10H12BrF2N/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4,9,14H,5H2,1-2H3
InChIKeyCTQGARNFPUPOFX-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.74
Rot. Bonds3

About 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline

4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline (PubChem CID 60921488) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline
PubChem CID60921488
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCC(F)F
InChIInChI=1S/C10H12BrF2N/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4,9,14H,5H2,1-2H3
InChIKeyCTQGARNFPUPOFX-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline (CID 60921488) is 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NCC(F)F.
What is the InChIKey of 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline?
The InChIKey is CTQGARNFPUPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4,9,14H,5H2,1-2H3.
What are the key properties of 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline?
4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline has a molecular weight of 264.11 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline is sourced from PubChem (CID 60921488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).