2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid

C14H9F3O2 — CID 176548294

IUPAC2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cc(F)ccc2F)ccc1F
InChIInChI=1S/C14H9F3O2/c15-10-2-4-13(17)11(7-10)8-1-3-12(16)9(5-8)6-14(18)19/h1-5,7H,6H2,(H,18,19)
InChIKeyLUDFUBWSBOHSOO-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.40
Rot. Bonds3

About 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid

2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid (PubChem CID 176548294) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
PubChem CID176548294
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cc(F)ccc2F)ccc1F
InChIInChI=1S/C14H9F3O2/c15-10-2-4-13(17)11(7-10)8-1-3-12(16)9(5-8)6-14(18)19/h1-5,7H,6H2,(H,18,19)
InChIKeyLUDFUBWSBOHSOO-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid
CID 176548301
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
CID 22224953
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid
CID 166638943
2-(2,5-difluorophenyl)acetate
CID 6951702
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid (CID 176548294) is 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid is O=C(O)Cc1cc(-c2cc(F)ccc2F)ccc1F.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid?
The InChIKey is LUDFUBWSBOHSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-10-2-4-13(17)11(7-10)8-1-3-12(16)9(5-8)6-14(18)19/h1-5,7H,6H2,(H,18,19).
What are the key properties of 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid?
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid has a molecular weight of 266.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid is sourced from PubChem (CID 176548294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).