2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid

C19H16F4O4 — CID 130365615

IUPAC2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
SMILESO=C(O)COC1CC(c2ccc(-c3cc(OC(F)(F)F)ccc3F)cc2)C1
InChIInChI=1S/C19H16F4O4/c20-17-6-5-14(27-19(21,22)23)9-16(17)12-3-1-11(2-4-12)13-7-15(8-13)26-10-18(24)25/h1-6,9,13,15H,7-8,10H2,(H,24,25)
InChIKeyZFECSGZPLZWETP-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.74
Rot. Bonds6

About 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid

2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid (PubChem CID 130365615) has the molecular formula C19H16F4O4 and a molecular weight of 384.33 g/mol. Its IUPAC name is 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
PubChem CID130365615
Molecular FormulaC19H16F4O4
Molecular Weight384.33 g/mol
Exact Mass384.10
IUPAC Name2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
SMILESO=C(O)COC1CC(c2ccc(-c3cc(OC(F)(F)F)ccc3F)cc2)C1
InChIInChI=1S/C19H16F4O4/c20-17-6-5-14(27-19(21,22)23)9-16(17)12-3-1-11(2-4-12)13-7-15(8-13)26-10-18(24)25/h1-6,9,13,15H,7-8,10H2,(H,24,25)
InChIKeyZFECSGZPLZWETP-UHFFFAOYSA-N
XLogP4.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The IUPAC name of 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid (CID 130365615) is 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid.
What is the SMILES notation for 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The canonical SMILES for 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid is O=C(O)COC1CC(c2ccc(-c3cc(OC(F)(F)F)ccc3F)cc2)C1.
What is the InChIKey of 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The InChIKey is ZFECSGZPLZWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4O4/c20-17-6-5-14(27-19(21,22)23)9-16(17)12-3-1-11(2-4-12)13-7-15(8-13)26-10-18(24)25/h1-6,9,13,15H,7-8,10H2,(H,24,25).
What are the key properties of 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid has a molecular weight of 384.33 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid is sourced from PubChem (CID 130365615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).