2-[2-(2,6-difluoroanilino)phenyl]acetic acid

C14H11F2NO2 — CID 13309832

IUPAC2-[2-(2,6-difluoroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1c(F)cccc1F
InChIInChI=1S/C14H11F2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyKHNKXTYWNSVJPN-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.34
Rot. Bonds4

About 2-[2-(2,6-difluoroanilino)phenyl]acetic acid

2-[2-(2,6-difluoroanilino)phenyl]acetic acid (PubChem CID 13309832) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-[2-(2,6-difluoroanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-difluoroanilino)phenyl]acetic acid
PubChem CID13309832
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-[2-(2,6-difluoroanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1c(F)cccc1F
InChIInChI=1S/C14H11F2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyKHNKXTYWNSVJPN-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluoroanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,6-difluoroanilino)phenyl]acetic acid (CID 13309832) is 2-[2-(2,6-difluoroanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-difluoroanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,6-difluoroanilino)phenyl]acetic acid is O=C(O)Cc1ccccc1Nc1c(F)cccc1F.
What is the InChIKey of 2-[2-(2,6-difluoroanilino)phenyl]acetic acid?
The InChIKey is KHNKXTYWNSVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-[2-(2,6-difluoroanilino)phenyl]acetic acid?
2-[2-(2,6-difluoroanilino)phenyl]acetic acid has a molecular weight of 263.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluoroanilino)phenyl]acetic acid is sourced from PubChem (CID 13309832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).