2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline

C8H7BrClF2N — CID 81270590

IUPAC2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C8H7BrClF2N/c9-6-3-5(10)1-2-7(6)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyIETPFFKDLDLUDO-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.78
Rot. Bonds3

About 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline

2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline (PubChem CID 81270590) has the molecular formula C8H7BrClF2N and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline
PubChem CID81270590
Molecular FormulaC8H7BrClF2N
Molecular Weight270.50 g/mol
Exact Mass268.94
IUPAC Name2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C8H7BrClF2N/c9-6-3-5(10)1-2-7(6)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyIETPFFKDLDLUDO-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline (CID 81270590) is 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline is FC(F)CNc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline?
The InChIKey is IETPFFKDLDLUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2N/c9-6-3-5(10)1-2-7(6)13-4-8(11)12/h1-3,8,13H,4H2.
What are the key properties of 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline?
2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline has a molecular weight of 270.50 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 81270590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).