2-(2-acetyl-6-fluorophenyl)acetic acid

C10H9FO3 — CID 121231894

IUPAC2-(2-acetyl-6-fluorophenyl)acetic acid
SMILESCC(=O)c1cccc(F)c1CC(=O)O
InChIInChI=1S/C10H9FO3/c1-6(12)7-3-2-4-9(11)8(7)5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyOBWCEWPYTPGEJG-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.66
Rot. Bonds3

About 2-(2-acetyl-6-fluorophenyl)acetic acid

2-(2-acetyl-6-fluorophenyl)acetic acid (PubChem CID 121231894) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-(2-acetyl-6-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-acetyl-6-fluorophenyl)acetic acid
PubChem CID121231894
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name2-(2-acetyl-6-fluorophenyl)acetic acid
SMILESCC(=O)c1cccc(F)c1CC(=O)O
InChIInChI=1S/C10H9FO3/c1-6(12)7-3-2-4-9(11)8(7)5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyOBWCEWPYTPGEJG-UHFFFAOYSA-N
XLogP1.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-6-(methylamino)phenyl]acetic acid
CID 82280939
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
CID 19899901
2-(2-acetylnaphthalen-1-yl)acetic acid
CID 69135276
2-ethyl-3-fluorobenzoic acid
CID 52911005
2-[2-fluoro-6-(propan-2-ylamino)phenyl]acetic acid
CID 82284132
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
3-fluoro-2-(fluoromethyl)benzoic acid
CID 68731679
2-(3-amino-2,6-difluorophenyl)acetic acid
CID 18405488
2-(3-acetyl-2-methoxyphenyl)acetic acid
CID 175626652
2-[2-(butan-2-ylamino)-6-fluorophenyl]acetic acid
CID 82287570
3-acetyl-2-fluorobenzoic acid
CID 83410719
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-6-fluorophenyl)acetic acid?
The IUPAC name of 2-(2-acetyl-6-fluorophenyl)acetic acid (CID 121231894) is 2-(2-acetyl-6-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-acetyl-6-fluorophenyl)acetic acid?
The canonical SMILES for 2-(2-acetyl-6-fluorophenyl)acetic acid is CC(=O)c1cccc(F)c1CC(=O)O.
What is the InChIKey of 2-(2-acetyl-6-fluorophenyl)acetic acid?
The InChIKey is OBWCEWPYTPGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-6(12)7-3-2-4-9(11)8(7)5-10(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-acetyl-6-fluorophenyl)acetic acid?
2-(2-acetyl-6-fluorophenyl)acetic acid has a molecular weight of 196.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-6-fluorophenyl)acetic acid is sourced from PubChem (CID 121231894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).