4-fluoro-2-(fluoromethoxy)benzoic acid

C8H6F2O3 — CID 175294892

IUPAC4-fluoro-2-(fluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(F)cc1OCF
InChIInChI=1S/C8H6F2O3/c9-4-13-7-3-5(10)1-2-6(7)8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyDPTZDKJTZBHYLU-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.83
Rot. Bonds3

About 4-fluoro-2-(fluoromethoxy)benzoic acid

4-fluoro-2-(fluoromethoxy)benzoic acid (PubChem CID 175294892) has the molecular formula C8H6F2O3 and a molecular weight of 188.13 g/mol. Its IUPAC name is 4-fluoro-2-(fluoromethoxy)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(fluoromethoxy)benzoic acid
PubChem CID175294892
Molecular FormulaC8H6F2O3
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name4-fluoro-2-(fluoromethoxy)benzoic acid
SMILESO=C(O)c1ccc(F)cc1OCF
InChIInChI=1S/C8H6F2O3/c9-4-13-7-3-5(10)1-2-6(7)8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyDPTZDKJTZBHYLU-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(fluoromethoxy)benzoic acid
CID 172802099
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 107014268
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
2-[2-(azetidin-1-yl)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014541
2-acetyloxy-4-fluorobenzoic acid
CID 15902067
4-fluoro-2-(2-methylpentoxy)benzoic acid
CID 107014556
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
2-[(2-ethoxyphenyl)methoxy]-4-fluorobenzoic acid
CID 107014311

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(fluoromethoxy)benzoic acid?
The IUPAC name of 4-fluoro-2-(fluoromethoxy)benzoic acid (CID 175294892) is 4-fluoro-2-(fluoromethoxy)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(fluoromethoxy)benzoic acid?
The canonical SMILES for 4-fluoro-2-(fluoromethoxy)benzoic acid is O=C(O)c1ccc(F)cc1OCF.
What is the InChIKey of 4-fluoro-2-(fluoromethoxy)benzoic acid?
The InChIKey is DPTZDKJTZBHYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O3/c9-4-13-7-3-5(10)1-2-6(7)8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 4-fluoro-2-(fluoromethoxy)benzoic acid?
4-fluoro-2-(fluoromethoxy)benzoic acid has a molecular weight of 188.13 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(fluoromethoxy)benzoic acid is sourced from PubChem (CID 175294892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).