3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid

C9H7BrF2O2 — CID 130820076

IUPAC3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1cc(F)ccc1Br
InChIInChI=1S/C9H7BrF2O2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4H2,(H,13,14)
InChIKeyUIXPAMMYDRTEHT-UHFFFAOYSA-N
MW265.05 g/mol
LogP2.55
Rot. Bonds3

About 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid

3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid (PubChem CID 130820076) has the molecular formula C9H7BrF2O2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid
PubChem CID130820076
Molecular FormulaC9H7BrF2O2
Molecular Weight265.05 g/mol
Exact Mass263.96
IUPAC Name3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid
SMILESO=C(O)C(F)Cc1cc(F)ccc1Br
InChIInChI=1S/C9H7BrF2O2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4H2,(H,13,14)
InChIKeyUIXPAMMYDRTEHT-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 60793090
2-[(2-bromo-5-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60794341
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
CID 64720945
(2S)-2-[(2-bromo-5-fluorophenyl)methoxy]propanoic acid
CID 104875993
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
2-[(2-bromo-5-fluorophenyl)methylamino]butanoic acid
CID 64667971
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
(2R)-2-[3-(2-bromo-5-fluorophenyl)propanoylamino]propanoic acid
CID 120526889
3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 79437902

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid (CID 130820076) is 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid is O=C(O)C(F)Cc1cc(F)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid?
The InChIKey is UIXPAMMYDRTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O2/c10-7-2-1-6(11)3-5(7)4-8(12)9(13)14/h1-3,8H,4H2,(H,13,14).
What are the key properties of 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid?
3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid has a molecular weight of 265.05 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 130820076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).