2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid

C17H14F2O3 — CID 155664258

IUPAC2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid
SMILESCC(=O)c1ccc(Cc2cc(F)c(CC(=O)O)c(F)c2)cc1
InChIInChI=1S/C17H14F2O3/c1-10(20)13-4-2-11(3-5-13)6-12-7-15(18)14(9-17(21)22)16(19)8-12/h2-5,7-8H,6,9H2,1H3,(H,21,22)
InChIKeyKIFIKNFKHRAPIB-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid

2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid (PubChem CID 155664258) has the molecular formula C17H14F2O3 and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid
PubChem CID155664258
Molecular FormulaC17H14F2O3
Molecular Weight304.29 g/mol
Exact Mass304.09
IUPAC Name2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid
SMILESCC(=O)c1ccc(Cc2cc(F)c(CC(=O)O)c(F)c2)cc1
InChIInChI=1S/C17H14F2O3/c1-10(20)13-4-2-11(3-5-13)6-12-7-15(18)14(9-17(21)22)16(19)8-12/h2-5,7-8H,6,9H2,1H3,(H,21,22)
InChIKeyKIFIKNFKHRAPIB-UHFFFAOYSA-N
XLogP3.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid?
The IUPAC name of 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid (CID 155664258) is 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid is CC(=O)c1ccc(Cc2cc(F)c(CC(=O)O)c(F)c2)cc1.
What is the InChIKey of 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid?
The InChIKey is KIFIKNFKHRAPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O3/c1-10(20)13-4-2-11(3-5-13)6-12-7-15(18)14(9-17(21)22)16(19)8-12/h2-5,7-8H,6,9H2,1H3,(H,21,22).
What are the key properties of 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid?
2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid has a molecular weight of 304.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid is sourced from PubChem (CID 155664258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).