2-bromo-1-fluoro-4-(2-methylpentoxy)benzene

C12H16BrFO — CID 83233407

IUPAC2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
SMILESCCCC(C)COc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFO/c1-3-4-9(2)8-15-10-5-6-12(14)11(13)7-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyAHJCEEHEAKNPNM-UHFFFAOYSA-N
MW275.16 g/mol
LogP4.40
Rot. Bonds5

About 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene

2-bromo-1-fluoro-4-(2-methylpentoxy)benzene (PubChem CID 83233407) has the molecular formula C12H16BrFO and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
PubChem CID83233407
Molecular FormulaC12H16BrFO
Molecular Weight275.16 g/mol
Exact Mass274.04
IUPAC Name2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
SMILESCCCC(C)COc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFO/c1-3-4-9(2)8-15-10-5-6-12(14)11(13)7-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyAHJCEEHEAKNPNM-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
CID 83234776
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
CID 83232718
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577
1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
CID 170640580
3-(4-bromo-3-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 65201278
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
5-(3-bromo-4-fluorophenoxy)-3-methylpentane-1-sulfonamide
CID 83234940
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine
CID 105264096

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene?
The IUPAC name of 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene (CID 83233407) is 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene is CCCC(C)COc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene?
The InChIKey is AHJCEEHEAKNPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO/c1-3-4-9(2)8-15-10-5-6-12(14)11(13)7-10/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene?
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene has a molecular weight of 275.16 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-(2-methylpentoxy)benzene is sourced from PubChem (CID 83233407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).