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

C8H7BrF2O — CID 86627693

IUPAC4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
SMILESFCCOc1cc(Br)ccc1F
InChIInChI=1S/C8H7BrF2O/c9-6-1-2-7(11)8(5-6)12-4-3-10/h1-2,5H,3-4H2
InChIKeyXTDVOUKRDCBICU-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.94
Rot. Bonds3

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

4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene (PubChem CID 86627693) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
PubChem CID86627693
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
SMILESFCCOc1cc(Br)ccc1F
InChIInChI=1S/C8H7BrF2O/c9-6-1-2-7(11)8(5-6)12-4-3-10/h1-2,5H,3-4H2
InChIKeyXTDVOUKRDCBICU-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-but-3-ynoxy-1-fluorobenzene
CID 115918428
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943
4-bromo-1-fluoro-2-(3-methylsulfonylpropoxy)benzene
CID 115918306
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148
4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
CID 114677081
2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide
CID 114677162
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene?
The IUPAC name of 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene (CID 86627693) is 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene.
What is the SMILES notation for 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene?
The canonical SMILES for 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene is FCCOc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene?
The InChIKey is XTDVOUKRDCBICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c9-6-1-2-7(11)8(5-6)12-4-3-10/h1-2,5H,3-4H2.
What are the key properties of 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene?
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene has a molecular weight of 237.04 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene is sourced from PubChem (CID 86627693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).