2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid

C11H10BrFO3 — CID 114671590

IUPAC2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid
SMILESO=C(O)C(Oc1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C11H10BrFO3/c12-7-3-4-8(13)9(5-7)16-10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)
InChIKeyJDLUFOYHZNRIMY-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.83
Rot. Bonds4

About 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid

2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid (PubChem CID 114671590) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid
PubChem CID114671590
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid
SMILESO=C(O)C(Oc1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C11H10BrFO3/c12-7-3-4-8(13)9(5-7)16-10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)
InChIKeyJDLUFOYHZNRIMY-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid
CID 138684182
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone
CID 116708933
3-(5-bromo-2-fluorophenoxy)butan-2-ol
CID 115919572
2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one
CID 112743598
(2S)-2-(5-bromo-2-fluorophenoxy)-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 172790117
3-[cyclohexyl(methoxy)methoxy]-4-fluorobenzoic acid
CID 170686635
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid (CID 114671590) is 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid is O=C(O)C(Oc1cc(Br)ccc1F)C1CC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid?
The InChIKey is JDLUFOYHZNRIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/c12-7-3-4-8(13)9(5-7)16-10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15).
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid?
2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid has a molecular weight of 289.10 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid is sourced from PubChem (CID 114671590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).