2-fluoro-2-(4-propanoylphenoxy)acetic acid

C11H11FO4 — CID 79357393

IUPAC2-fluoro-2-(4-propanoylphenoxy)acetic acid
SMILESCCC(=O)c1ccc(OC(F)C(=O)O)cc1
InChIInChI=1S/C11H11FO4/c1-2-9(13)7-3-5-8(6-4-7)16-10(12)11(14)15/h3-6,10H,2H2,1H3,(H,14,15)
InChIKeySORNJMLZMBTFOE-UHFFFAOYSA-N
MW226.20 g/mol
LogP2.04
Rot. Bonds5

About 2-fluoro-2-(4-propanoylphenoxy)acetic acid

2-fluoro-2-(4-propanoylphenoxy)acetic acid (PubChem CID 79357393) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-fluoro-2-(4-propanoylphenoxy)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-propanoylphenoxy)acetic acid
PubChem CID79357393
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-fluoro-2-(4-propanoylphenoxy)acetic acid
SMILESCCC(=O)c1ccc(OC(F)C(=O)O)cc1
InChIInChI=1S/C11H11FO4/c1-2-9(13)7-3-5-8(6-4-7)16-10(12)11(14)15/h3-6,10H,2H2,1H3,(H,14,15)
InChIKeySORNJMLZMBTFOE-UHFFFAOYSA-N
XLogP2.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenoxy)-2-fluoroacetic acid
CID 79357671
(4-propanoylphenyl) propanoate
CID 19170728
(4-propanoylphenyl) 2-methylpropanoate
CID 19170731
N,N-dimethyl-2-(4-propanoylphenoxy)propanamide
CID 43085562
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
1-phenyl(111C)propan-1-one
CID 11159350
1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one
CID 69042768
3-methyl-2-(4-propanoylphenoxy)butanehydrazide
CID 63576010
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-propanoylphenoxy)acetic acid?
The IUPAC name of 2-fluoro-2-(4-propanoylphenoxy)acetic acid (CID 79357393) is 2-fluoro-2-(4-propanoylphenoxy)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-propanoylphenoxy)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-propanoylphenoxy)acetic acid is CCC(=O)c1ccc(OC(F)C(=O)O)cc1.
What is the InChIKey of 2-fluoro-2-(4-propanoylphenoxy)acetic acid?
The InChIKey is SORNJMLZMBTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-2-9(13)7-3-5-8(6-4-7)16-10(12)11(14)15/h3-6,10H,2H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-2-(4-propanoylphenoxy)acetic acid?
2-fluoro-2-(4-propanoylphenoxy)acetic acid has a molecular weight of 226.20 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-propanoylphenoxy)acetic acid is sourced from PubChem (CID 79357393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).