2-(3,4-difluoro-5-phenylphenyl)acetic acid

C14H10F2O2 — CID 117372910

IUPAC2-(3,4-difluoro-5-phenylphenyl)acetic acid
SMILESO=C(O)Cc1cc(F)c(F)c(-c2ccccc2)c1
InChIInChI=1S/C14H10F2O2/c15-12-7-9(8-13(17)18)6-11(14(12)16)10-4-2-1-3-5-10/h1-7H,8H2,(H,17,18)
InChIKeySFBQUYHUPDPRGM-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.26
Rot. Bonds3

About 2-(3,4-difluoro-5-phenylphenyl)acetic acid

2-(3,4-difluoro-5-phenylphenyl)acetic acid (PubChem CID 117372910) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(3,4-difluoro-5-phenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-difluoro-5-phenylphenyl)acetic acid
PubChem CID117372910
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-(3,4-difluoro-5-phenylphenyl)acetic acid
SMILESO=C(O)Cc1cc(F)c(F)c(-c2ccccc2)c1
InChIInChI=1S/C14H10F2O2/c15-12-7-9(8-13(17)18)6-11(14(12)16)10-4-2-1-3-5-10/h1-7H,8H2,(H,17,18)
InChIKeySFBQUYHUPDPRGM-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-5-phenylphenyl)acetic acid?
The IUPAC name of 2-(3,4-difluoro-5-phenylphenyl)acetic acid (CID 117372910) is 2-(3,4-difluoro-5-phenylphenyl)acetic acid.
What is the SMILES notation for 2-(3,4-difluoro-5-phenylphenyl)acetic acid?
The canonical SMILES for 2-(3,4-difluoro-5-phenylphenyl)acetic acid is O=C(O)Cc1cc(F)c(F)c(-c2ccccc2)c1.
What is the InChIKey of 2-(3,4-difluoro-5-phenylphenyl)acetic acid?
The InChIKey is SFBQUYHUPDPRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-12-7-9(8-13(17)18)6-11(14(12)16)10-4-2-1-3-5-10/h1-7H,8H2,(H,17,18).
What are the key properties of 2-(3,4-difluoro-5-phenylphenyl)acetic acid?
2-(3,4-difluoro-5-phenylphenyl)acetic acid has a molecular weight of 248.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-5-phenylphenyl)acetic acid is sourced from PubChem (CID 117372910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).