2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid

C19H16F4O4 — CID 155588671

IUPAC2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cc(OCc2ccccc2)c(C2(C(F)(F)F)CCO2)cc1F
InChIInChI=1S/C19H16F4O4/c20-15-10-14(18(6-7-27-18)19(21,22)23)16(8-13(15)9-17(24)25)26-11-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2,(H,24,25)
InChIKeyYRIJYPDGYQCVTF-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.21
Rot. Bonds6

About 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid

2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid (PubChem CID 155588671) has the molecular formula C19H16F4O4 and a molecular weight of 384.33 g/mol. Its IUPAC name is 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid
PubChem CID155588671
Molecular FormulaC19H16F4O4
Molecular Weight384.33 g/mol
Exact Mass384.10
IUPAC Name2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cc(OCc2ccccc2)c(C2(C(F)(F)F)CCO2)cc1F
InChIInChI=1S/C19H16F4O4/c20-15-10-14(18(6-7-27-18)19(21,22)23)16(8-13(15)9-17(24)25)26-11-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2,(H,24,25)
InChIKeyYRIJYPDGYQCVTF-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid (CID 155588671) is 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid is O=C(O)Cc1cc(OCc2ccccc2)c(C2(C(F)(F)F)CCO2)cc1F.
What is the InChIKey of 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid?
The InChIKey is YRIJYPDGYQCVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4O4/c20-15-10-14(18(6-7-27-18)19(21,22)23)16(8-13(15)9-17(24)25)26-11-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2,(H,24,25).
What are the key properties of 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid?
2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid has a molecular weight of 384.33 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid is sourced from PubChem (CID 155588671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).