2-bromo-4,6-difluoro-N-propylaniline

C9H10BrF2N — CID 43168257

IUPAC2-bromo-4,6-difluoro-N-propylaniline
SMILESCCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2N/c1-2-3-13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyBDWMITJVECZZMN-UHFFFAOYSA-N
MW250.09 g/mol
LogP3.55
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-propylaniline

2-bromo-4,6-difluoro-N-propylaniline (PubChem CID 43168257) has the molecular formula C9H10BrF2N and a molecular weight of 250.09 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-propylaniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-propylaniline
PubChem CID43168257
Molecular FormulaC9H10BrF2N
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name2-bromo-4,6-difluoro-N-propylaniline
SMILESCCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2N/c1-2-3-13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyBDWMITJVECZZMN-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4,6-difluoro-N-pentylaniline
CID 43347538
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-bromo-4,6-difluoro-N-(3-methylbut-3-enyl)aniline
CID 114472022
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
2-bromo-N-(3,3-diethoxypropyl)-4,6-difluoroaniline
CID 81093418
2,6-dibromo-4-fluoro-N-pentylaniline
CID 69428325
2-(2-bromo-4,6-difluoroanilino)acetonitrile
CID 43168321
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol
CID 61070702
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147
2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline
CID 62345433
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-propylaniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-propylaniline (CID 43168257) is 2-bromo-4,6-difluoro-N-propylaniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-propylaniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-propylaniline is CCCNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-propylaniline?
The InChIKey is BDWMITJVECZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N/c1-2-3-13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-propylaniline?
2-bromo-4,6-difluoro-N-propylaniline has a molecular weight of 250.09 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-propylaniline is sourced from PubChem (CID 43168257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).