2-bromo-1-fluoro-4-phenoxybenzene

C12H8BrFO — CID 71774083

IUPAC2-bromo-1-fluoro-4-phenoxybenzene
SMILESFc1ccc(Oc2ccccc2)cc1Br
InChIInChI=1S/C12H8BrFO/c13-11-8-10(6-7-12(11)14)15-9-4-2-1-3-5-9/h1-8H
InChIKeyURCUHTMNVBERAZ-UHFFFAOYSA-N
MW267.10 g/mol
LogP4.38
Rot. Bonds2

About 2-bromo-1-fluoro-4-phenoxybenzene

2-bromo-1-fluoro-4-phenoxybenzene (PubChem CID 71774083) has the molecular formula C12H8BrFO and a molecular weight of 267.10 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-phenoxybenzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-phenoxybenzene
PubChem CID71774083
Molecular FormulaC12H8BrFO
Molecular Weight267.10 g/mol
Exact Mass265.97
IUPAC Name2-bromo-1-fluoro-4-phenoxybenzene
SMILESFc1ccc(Oc2ccccc2)cc1Br
InChIInChI=1S/C12H8BrFO/c13-11-8-10(6-7-12(11)14)15-9-4-2-1-3-5-9/h1-8H
InChIKeyURCUHTMNVBERAZ-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
CID 83231410
(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 83235043
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
CID 83234688
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
3-bromo-4-(3-bromo-4-fluorophenoxy)pyridine
CID 104776674
4-(3-bromo-4-fluorophenoxy)-2-(trifluoromethyl)aniline
CID 83232506
[2-(3-bromo-4-fluorophenoxy)quinolin-4-yl]methanol
CID 83233363
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
2-(3-bromo-4-fluorophenoxy)quinazoline
CID 114788785
[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-phenoxybenzene?
The IUPAC name of 2-bromo-1-fluoro-4-phenoxybenzene (CID 71774083) is 2-bromo-1-fluoro-4-phenoxybenzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-phenoxybenzene?
The canonical SMILES for 2-bromo-1-fluoro-4-phenoxybenzene is Fc1ccc(Oc2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-1-fluoro-4-phenoxybenzene?
The InChIKey is URCUHTMNVBERAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO/c13-11-8-10(6-7-12(11)14)15-9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-bromo-1-fluoro-4-phenoxybenzene?
2-bromo-1-fluoro-4-phenoxybenzene has a molecular weight of 267.10 g/mol, XLogP of 4.38, 2 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-phenoxybenzene is sourced from PubChem (CID 71774083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).