2,5-dibromo-N-(2,2-difluoroethyl)aniline

C8H7Br2F2N — CID 61467186

IUPAC2,5-dibromo-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1cc(Br)ccc1Br
InChIInChI=1S/C8H7Br2F2N/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyDFMWYOUBLUULML-UHFFFAOYSA-N
MW314.95 g/mol
LogP3.89
Rot. Bonds3

About 2,5-dibromo-N-(2,2-difluoroethyl)aniline

2,5-dibromo-N-(2,2-difluoroethyl)aniline (PubChem CID 61467186) has the molecular formula C8H7Br2F2N and a molecular weight of 314.95 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(2,2-difluoroethyl)aniline
PubChem CID61467186
Molecular FormulaC8H7Br2F2N
Molecular Weight314.95 g/mol
Exact Mass312.89
IUPAC Name2,5-dibromo-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1cc(Br)ccc1Br
InChIInChI=1S/C8H7Br2F2N/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyDFMWYOUBLUULML-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.95
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
1-(2,5-dibromoanilino)butan-2-ol
CID 61467144
3-(2,5-dibromoanilino)propane-1,2-diol
CID 76904670
3-(2,5-dibromoanilino)-2-methylpropanenitrile
CID 61466960
2-(2,5-dibromoanilino)ethanol
CID 61467228
2,4,6-tribromo-N-(2,2-difluoroethyl)aniline
CID 63489032
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
CID 103157464
1-(2,5-dibromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61467302
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693
2,5-dibromo-N-decylaniline
CID 63492917
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,2-difluoroethyl)aniline?
The IUPAC name of 2,5-dibromo-N-(2,2-difluoroethyl)aniline (CID 61467186) is 2,5-dibromo-N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(2,2-difluoroethyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(2,2-difluoroethyl)aniline is FC(F)CNc1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,2-difluoroethyl)aniline?
The InChIKey is DFMWYOUBLUULML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F2N/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3,8,13H,4H2.
What are the key properties of 2,5-dibromo-N-(2,2-difluoroethyl)aniline?
2,5-dibromo-N-(2,2-difluoroethyl)aniline has a molecular weight of 314.95 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 61467186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).