2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid

C20H20F2O4 — CID 175399751

IUPAC2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid
SMILESCCC(Oc1ccc(-c2cccc(F)c2OC2CCC2)cc1F)C(=O)O
InChIInChI=1S/C20H20F2O4/c1-2-17(20(23)24)26-18-10-9-12(11-16(18)22)14-7-4-8-15(21)19(14)25-13-5-3-6-13/h4,7-11,13,17H,2-3,5-6H2,1H3,(H,23,24)
InChIKeySBLKZGALQQGRKA-UHFFFAOYSA-N
MW362.37 g/mol
LogP4.81
Rot. Bonds7

About 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid

2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid (PubChem CID 175399751) has the molecular formula C20H20F2O4 and a molecular weight of 362.37 g/mol. Its IUPAC name is 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid.

Molecular Properties

Compound Name2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid
PubChem CID175399751
Molecular FormulaC20H20F2O4
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid
SMILESCCC(Oc1ccc(-c2cccc(F)c2OC2CCC2)cc1F)C(=O)O
InChIInChI=1S/C20H20F2O4/c1-2-17(20(23)24)26-18-10-9-12(11-16(18)22)14-7-4-8-15(21)19(14)25-13-5-3-6-13/h4,7-11,13,17H,2-3,5-6H2,1H3,(H,23,24)
InChIKeySBLKZGALQQGRKA-UHFFFAOYSA-N
XLogP4.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid?
The IUPAC name of 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid (CID 175399751) is 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid.
What is the SMILES notation for 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid?
The canonical SMILES for 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid is CCC(Oc1ccc(-c2cccc(F)c2OC2CCC2)cc1F)C(=O)O.
What is the InChIKey of 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid?
The InChIKey is SBLKZGALQQGRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O4/c1-2-17(20(23)24)26-18-10-9-12(11-16(18)22)14-7-4-8-15(21)19(14)25-13-5-3-6-13/h4,7-11,13,17H,2-3,5-6H2,1H3,(H,23,24).
What are the key properties of 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid?
2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid has a molecular weight of 362.37 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclobutyloxy-3-fluorophenyl)-2-fluorophenoxy]butanoic acid is sourced from PubChem (CID 175399751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).