2-bromo-N-(2,2-difluoroethyl)aniline

C8H8BrF2N — CID 60922388

IUPAC2-bromo-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1ccccc1Br
InChIInChI=1S/C8H8BrF2N/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8,12H,5H2
InChIKeyRBGNCLIZRFMHDD-UHFFFAOYSA-N
MW236.06 g/mol
LogP3.13
Rot. Bonds3

About 2-bromo-N-(2,2-difluoroethyl)aniline

2-bromo-N-(2,2-difluoroethyl)aniline (PubChem CID 60922388) has the molecular formula C8H8BrF2N and a molecular weight of 236.06 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)aniline
PubChem CID60922388
Molecular FormulaC8H8BrF2N
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name2-bromo-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1ccccc1Br
InChIInChI=1S/C8H8BrF2N/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8,12H,5H2
InChIKeyRBGNCLIZRFMHDD-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoroethyl)aniline?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)aniline (CID 60922388) is 2-bromo-N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)aniline?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)aniline is FC(F)CNc1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)aniline?
The InChIKey is RBGNCLIZRFMHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,8,12H,5H2.
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)aniline?
2-bromo-N-(2,2-difluoroethyl)aniline has a molecular weight of 236.06 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 60922388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).