2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid

C19H16F4O5 — CID 71715836

IUPAC2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
SMILESO=C(O)CC1(c2ccc(OCc3cc(F)cc(OC(F)(F)F)c3)cc2)COC1
InChIInChI=1S/C19H16F4O5/c20-14-5-12(6-16(7-14)28-19(21,22)23)9-27-15-3-1-13(2-4-15)18(8-17(24)25)10-26-11-18/h1-7H,8-11H2,(H,24,25)
InChIKeyUUPGNLPRVUUQHZ-UHFFFAOYSA-N
MW400.32 g/mol
LogP4.05
Rot. Bonds7

About 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid

2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid (PubChem CID 71715836) has the molecular formula C19H16F4O5 and a molecular weight of 400.32 g/mol. Its IUPAC name is 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
PubChem CID71715836
Molecular FormulaC19H16F4O5
Molecular Weight400.32 g/mol
Exact Mass400.09
IUPAC Name2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
SMILESO=C(O)CC1(c2ccc(OCc3cc(F)cc(OC(F)(F)F)c3)cc2)COC1
InChIInChI=1S/C19H16F4O5/c20-14-5-12(6-16(7-14)28-19(21,22)23)9-27-15-3-1-13(2-4-15)18(8-17(24)25)10-26-11-18/h1-7H,8-11H2,(H,24,25)
InChIKeyUUPGNLPRVUUQHZ-UHFFFAOYSA-N
XLogP4.05
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid with MolForge

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Related Compounds

ethyl 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
CID 71715892
2-[3-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 71715893
ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
CID 71715891
ethyl 2-[3-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]phenyl]oxetan-3-yl]acetate
CID 71715835
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
2-[3-[4-[[4-[2-methoxyimino-2-(3-methoxyphenyl)ethoxy]phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 144798742
2-[3-[4-[[3-[2-chloro-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid
CID 71715271
2-[1-[4-[(5-fluorospiro[3H-1-benzofuran-2,1'-cyclopentane]-7-yl)methoxy]phenyl]cyclopropyl]acetic acid
CID 90465716
5-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
CID 90325843
N-[2-[[2-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]acetamide
CID 118434860
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
CID 58289339

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid?
The IUPAC name of 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid (CID 71715836) is 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid?
The canonical SMILES for 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid is O=C(O)CC1(c2ccc(OCc3cc(F)cc(OC(F)(F)F)c3)cc2)COC1.
What is the InChIKey of 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid?
The InChIKey is UUPGNLPRVUUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4O5/c20-14-5-12(6-16(7-14)28-19(21,22)23)9-27-15-3-1-13(2-4-15)18(8-17(24)25)10-26-11-18/h1-7H,8-11H2,(H,24,25).
What are the key properties of 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid?
2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid has a molecular weight of 400.32 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[3-fluoro-5-(trifluoromethoxy)phenyl]methoxy]phenyl]oxetan-3-yl]acetic acid is sourced from PubChem (CID 71715836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).