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

C11H14BrF2N — CID 43347538

IUPAC2-bromo-4,6-difluoro-N-pentylaniline
SMILESCCCCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H14BrF2N/c1-2-3-4-5-15-11-9(12)6-8(13)7-10(11)14/h6-7,15H,2-5H2,1H3
InChIKeyRIYMFWYCKWGGEC-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.33
Rot. Bonds5

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

2-bromo-4,6-difluoro-N-pentylaniline (PubChem CID 43347538) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-pentylaniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-pentylaniline
PubChem CID43347538
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name2-bromo-4,6-difluoro-N-pentylaniline
SMILESCCCCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H14BrF2N/c1-2-3-4-5-15-11-9(12)6-8(13)7-10(11)14/h6-7,15H,2-5H2,1H3
InChIKeyRIYMFWYCKWGGEC-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.33
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

2,6-dibromo-4-fluoro-N-pentylaniline
CID 69428325
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-bromo-4,6-difluoro-N-undecan-6-ylaniline
CID 63423408
2-bromo-4,6-difluoro-N-(3-methylbut-3-enyl)aniline
CID 114472022
2-bromo-N-(3,3-diethoxypropyl)-4,6-difluoroaniline
CID 81093418
5-(2-bromo-4,6-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063638
1-(2-bromo-4,6-difluorophenyl)-3-butylurea
CID 113218580
2-(2-bromo-4,6-difluoroanilino)acetonitrile
CID 43168321
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-pentylaniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-pentylaniline (CID 43347538) is 2-bromo-4,6-difluoro-N-pentylaniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-pentylaniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-pentylaniline is CCCCCNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-pentylaniline?
The InChIKey is RIYMFWYCKWGGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-2-3-4-5-15-11-9(12)6-8(13)7-10(11)14/h6-7,15H,2-5H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-pentylaniline?
2-bromo-4,6-difluoro-N-pentylaniline has a molecular weight of 278.14 g/mol, XLogP of 4.33, 5 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-pentylaniline is sourced from PubChem (CID 43347538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).