5-bromo-4-fluoro-2-propan-2-yloxyaniline

C9H11BrFNO — CID 66111938

IUPAC5-bromo-4-fluoro-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(F)c(Br)cc1N
InChIInChI=1S/C9H11BrFNO/c1-5(2)13-9-4-7(11)6(10)3-8(9)12/h3-5H,12H2,1-2H3
InChIKeyZTSDKBQOZDIBNB-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.96
Rot. Bonds2

About 5-bromo-4-fluoro-2-propan-2-yloxyaniline

5-bromo-4-fluoro-2-propan-2-yloxyaniline (PubChem CID 66111938) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-propan-2-yloxyaniline
PubChem CID66111938
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name5-bromo-4-fluoro-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(F)c(Br)cc1N
InChIInChI=1S/C9H11BrFNO/c1-5(2)13-9-4-7(11)6(10)3-8(9)12/h3-5H,12H2,1-2H3
InChIKeyZTSDKBQOZDIBNB-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline
CID 66111940
5-bromo-4-fluoro-2-pentan-3-yloxyaniline
CID 103482882
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
CID 115505357
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
CID 82004312
4-fluoro-5-phenyl-2-propan-2-yloxyaniline
CID 175239522
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
4-bromo-2-propan-2-yloxyaniline
CID 50998232
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593881
2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593200
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
5-bromo-4-fluoro-2-nonoxyaniline
CID 103482858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-propan-2-yloxyaniline?
The IUPAC name of 5-bromo-4-fluoro-2-propan-2-yloxyaniline (CID 66111938) is 5-bromo-4-fluoro-2-propan-2-yloxyaniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-propan-2-yloxyaniline?
The canonical SMILES for 5-bromo-4-fluoro-2-propan-2-yloxyaniline is CC(C)Oc1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-fluoro-2-propan-2-yloxyaniline?
The InChIKey is ZTSDKBQOZDIBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5(2)13-9-4-7(11)6(10)3-8(9)12/h3-5H,12H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-2-propan-2-yloxyaniline?
5-bromo-4-fluoro-2-propan-2-yloxyaniline has a molecular weight of 248.09 g/mol, XLogP of 2.96, 2 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-propan-2-yloxyaniline is sourced from PubChem (CID 66111938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).