2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid

C8H5BrF2O2 — CID 79743413

IUPAC2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1cc(Br)ccc1F
InChIInChI=1S/C8H5BrF2O2/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3,7H,(H,12,13)
InChIKeyIHBMOWBACJELHZ-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.68
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid

2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid (PubChem CID 79743413) has the molecular formula C8H5BrF2O2 and a molecular weight of 251.03 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid
PubChem CID79743413
Molecular FormulaC8H5BrF2O2
Molecular Weight251.03 g/mol
Exact Mass249.94
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1cc(Br)ccc1F
InChIInChI=1S/C8H5BrF2O2/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3,7H,(H,12,13)
InChIKeyIHBMOWBACJELHZ-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
2-(5-bromo-2-fluorophenyl)-2-chloroacetamide
CID 62226242
2-(5-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 82974010
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoic acid;hydrochloride
CID 162344141
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
2-(2-bromo-3-fluorophenyl)-2-fluoroacetic acid
CID 170917834
2-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959731
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347
2-(5-bromo-2-fluorophenyl)pentan-3-one
CID 82973911
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid (CID 79743413) is 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid is O=C(O)C(F)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid?
The InChIKey is IHBMOWBACJELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O2/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3,7H,(H,12,13).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid?
2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid has a molecular weight of 251.03 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-fluoroacetic acid is sourced from PubChem (CID 79743413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).