2-(3-fluorooxyphenyl)acetic acid

C8H7FO3 — CID 69494655

IUPAC2-(3-fluorooxyphenyl)acetic acid
SMILESO=C(O)Cc1cccc(OF)c1
InChIInChI=1S/C8H7FO3/c9-12-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyWVNKFJWFKZUMHD-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-fluorooxyphenyl)acetic acid

2-(3-fluorooxyphenyl)acetic acid (PubChem CID 69494655) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 2-(3-fluorooxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluorooxyphenyl)acetic acid
PubChem CID69494655
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name2-(3-fluorooxyphenyl)acetic acid
SMILESO=C(O)Cc1cccc(OF)c1
InChIInChI=1S/C8H7FO3/c9-12-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyWVNKFJWFKZUMHD-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-[3-(2,2,2-trifluoroacetyl)oxyphenyl]acetic acid
CID 54390666
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
2-(3-ethenoxyphenyl)acetic acid
CID 88995868
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-(2-chloroacetyl)oxyphenyl]acetic acid
CID 56620307
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
2-[3-(1,1-difluoro-2-methylpropoxy)phenyl]acetic acid
CID 70526950
2-[3-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 104606526

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorooxyphenyl)acetic acid?
The IUPAC name of 2-(3-fluorooxyphenyl)acetic acid (CID 69494655) is 2-(3-fluorooxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-fluorooxyphenyl)acetic acid?
The canonical SMILES for 2-(3-fluorooxyphenyl)acetic acid is O=C(O)Cc1cccc(OF)c1.
What is the InChIKey of 2-(3-fluorooxyphenyl)acetic acid?
The InChIKey is WVNKFJWFKZUMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c9-12-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(3-fluorooxyphenyl)acetic acid?
2-(3-fluorooxyphenyl)acetic acid has a molecular weight of 170.14 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorooxyphenyl)acetic acid is sourced from PubChem (CID 69494655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).