2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid

C11H11FO4 — CID 84790843

IUPAC2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(O)ccc(O)c2F)CC1
InChIInChI=1S/C11H11FO4/c12-10-7(14)2-1-6(13)9(10)11(3-4-11)5-8(15)16/h1-2,13-14H,3-5H2,(H,15,16)
InChIKeyRFELPCOMOVLRTK-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.74
Rot. Bonds3

About 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid

2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid (PubChem CID 84790843) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid
PubChem CID84790843
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(O)ccc(O)c2F)CC1
InChIInChI=1S/C11H11FO4/c12-10-7(14)2-1-6(13)9(10)11(3-4-11)5-8(15)16/h1-2,13-14H,3-5H2,(H,15,16)
InChIKeyRFELPCOMOVLRTK-UHFFFAOYSA-N
XLogP1.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid (CID 84790843) is 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid is O=C(O)CC1(c2c(O)ccc(O)c2F)CC1.
What is the InChIKey of 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid?
The InChIKey is RFELPCOMOVLRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c12-10-7(14)2-1-6(13)9(10)11(3-4-11)5-8(15)16/h1-2,13-14H,3-5H2,(H,15,16).
What are the key properties of 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid?
2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid has a molecular weight of 226.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84790843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).