2-(2-bromo-2-fluorocyclopropyl)acetic acid

C5H6BrFO2 — CID 168664368

IUPAC2-(2-bromo-2-fluorocyclopropyl)acetic acid
SMILESO=C(O)CC1CC1(F)Br
InChIInChI=1S/C5H6BrFO2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9)
InChIKeyILUMURHMUDRKFI-UHFFFAOYSA-N
MW197.00 g/mol
LogP1.54
Rot. Bonds2

About 2-(2-bromo-2-fluorocyclopropyl)acetic acid

2-(2-bromo-2-fluorocyclopropyl)acetic acid (PubChem CID 168664368) has the molecular formula C5H6BrFO2 and a molecular weight of 197.00 g/mol. Its IUPAC name is 2-(2-bromo-2-fluorocyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-2-fluorocyclopropyl)acetic acid
PubChem CID168664368
Molecular FormulaC5H6BrFO2
Molecular Weight197.00 g/mol
Exact Mass195.95
IUPAC Name2-(2-bromo-2-fluorocyclopropyl)acetic acid
SMILESO=C(O)CC1CC1(F)Br
InChIInChI=1S/C5H6BrFO2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9)
InChIKeyILUMURHMUDRKFI-UHFFFAOYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.00
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-fluorocyclopropyl)acetic acid?
The IUPAC name of 2-(2-bromo-2-fluorocyclopropyl)acetic acid (CID 168664368) is 2-(2-bromo-2-fluorocyclopropyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-2-fluorocyclopropyl)acetic acid?
The canonical SMILES for 2-(2-bromo-2-fluorocyclopropyl)acetic acid is O=C(O)CC1CC1(F)Br.
What is the InChIKey of 2-(2-bromo-2-fluorocyclopropyl)acetic acid?
The InChIKey is ILUMURHMUDRKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFO2/c6-5(7)2-3(5)1-4(8)9/h3H,1-2H2,(H,8,9).
What are the key properties of 2-(2-bromo-2-fluorocyclopropyl)acetic acid?
2-(2-bromo-2-fluorocyclopropyl)acetic acid has a molecular weight of 197.00 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-fluorocyclopropyl)acetic acid is sourced from PubChem (CID 168664368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).