5-bromo-4-fluoro-2-nonoxyaniline

C15H23BrFNO — CID 103482858

IUPAC5-bromo-4-fluoro-2-nonoxyaniline
SMILESCCCCCCCCCOc1cc(F)c(Br)cc1N
InChIInChI=1S/C15H23BrFNO/c1-2-3-4-5-6-7-8-9-19-15-11-13(17)12(16)10-14(15)18/h10-11H,2-9,18H2,1H3
InChIKeyMFOBLNCDBSTBBX-UHFFFAOYSA-N
MW332.26 g/mol
LogP5.30
Rot. Bonds9

About 5-bromo-4-fluoro-2-nonoxyaniline

5-bromo-4-fluoro-2-nonoxyaniline (PubChem CID 103482858) has the molecular formula C15H23BrFNO and a molecular weight of 332.26 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-nonoxyaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-nonoxyaniline
PubChem CID103482858
Molecular FormulaC15H23BrFNO
Molecular Weight332.26 g/mol
Exact Mass331.09
IUPAC Name5-bromo-4-fluoro-2-nonoxyaniline
SMILESCCCCCCCCCOc1cc(F)c(Br)cc1N
InChIInChI=1S/C15H23BrFNO/c1-2-3-4-5-6-7-8-9-19-15-11-13(17)12(16)10-14(15)18/h10-11H,2-9,18H2,1H3
InChIKeyMFOBLNCDBSTBBX-UHFFFAOYSA-N
XLogP5.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.26
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 175497603
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CID 103482862
5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
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5-bromo-2-hexoxyaniline
CID 28994958
4-dodecoxy-3-fluoroaniline
CID 63404209
4-fluoro-2-octoxyaniline
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1,2-dibromo-4,5-didecoxybenzene
CID 71339465
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
CID 82004312
4,5-dioctoxybenzene-1,2-diamine;dihydrochloride
CID 71614381
5-chloro-2-decoxyaniline
CID 55187694
4-bromo-3-heptoxyaniline
CID 103008551
5-bromo-4-hexoxypyridin-2-amine
CID 153440558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-nonoxyaniline?
The IUPAC name of 5-bromo-4-fluoro-2-nonoxyaniline (CID 103482858) is 5-bromo-4-fluoro-2-nonoxyaniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-nonoxyaniline?
The canonical SMILES for 5-bromo-4-fluoro-2-nonoxyaniline is CCCCCCCCCOc1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-fluoro-2-nonoxyaniline?
The InChIKey is MFOBLNCDBSTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFNO/c1-2-3-4-5-6-7-8-9-19-15-11-13(17)12(16)10-14(15)18/h10-11H,2-9,18H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-nonoxyaniline?
5-bromo-4-fluoro-2-nonoxyaniline has a molecular weight of 332.26 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-nonoxyaniline is sourced from PubChem (CID 103482858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).