2-bromo-4,6-difluoro-N-undecan-6-ylaniline

C17H26BrF2N — CID 63423408

IUPAC2-bromo-4,6-difluoro-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C17H26BrF2N/c1-3-5-7-9-14(10-8-6-4-2)21-17-15(18)11-13(19)12-16(17)20/h11-12,14,21H,3-10H2,1-2H3
InChIKeyDJVLEDHHMVMFHU-UHFFFAOYSA-N
MW362.30 g/mol
LogP6.67
Rot. Bonds10

About 2-bromo-4,6-difluoro-N-undecan-6-ylaniline

2-bromo-4,6-difluoro-N-undecan-6-ylaniline (PubChem CID 63423408) has the molecular formula C17H26BrF2N and a molecular weight of 362.30 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-undecan-6-ylaniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-undecan-6-ylaniline
PubChem CID63423408
Molecular FormulaC17H26BrF2N
Molecular Weight362.30 g/mol
Exact Mass361.12
IUPAC Name2-bromo-4,6-difluoro-N-undecan-6-ylaniline
SMILESCCCCCC(CCCCC)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C17H26BrF2N/c1-3-5-7-9-14(10-8-6-4-2)21-17-15(18)11-13(19)12-16(17)20/h11-12,14,21H,3-10H2,1-2H3
InChIKeyDJVLEDHHMVMFHU-UHFFFAOYSA-N
XLogP6.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4,6-difluoro-N-pentylaniline
CID 43347538
2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
CID 43347573
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
2,6-dibromo-4-fluoro-N-pentylaniline
CID 69428325
2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide
CID 106025725
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147
2-chloro-4,6-difluoro-N-heptan-2-ylaniline
CID 83081813
2-chloro-4,6-difluoro-N-nonan-2-ylaniline
CID 83081084
1-(2-bromo-4,6-difluorophenyl)-3-butylurea
CID 113218580
2-bromo-5-chloro-N-undecan-6-ylaniline
CID 81264421

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-undecan-6-ylaniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-undecan-6-ylaniline (CID 63423408) is 2-bromo-4,6-difluoro-N-undecan-6-ylaniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-undecan-6-ylaniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-undecan-6-ylaniline is CCCCCC(CCCCC)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-undecan-6-ylaniline?
The InChIKey is DJVLEDHHMVMFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrF2N/c1-3-5-7-9-14(10-8-6-4-2)21-17-15(18)11-13(19)12-16(17)20/h11-12,14,21H,3-10H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-undecan-6-ylaniline?
2-bromo-4,6-difluoro-N-undecan-6-ylaniline has a molecular weight of 362.30 g/mol, XLogP of 6.67, 10 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-undecan-6-ylaniline is sourced from PubChem (CID 63423408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).