2-(2,6-difluoroanilino)benzoate

C13H8F2NO2- — CID 163199732

IUPAC2-(2,6-difluoroanilino)benzoate
SMILESO=C([O-])c1ccccc1Nc1c(F)cccc1F
InChIInChI=1S/C13H9F2NO2/c14-9-5-3-6-10(15)12(9)16-11-7-2-1-4-8(11)13(17)18/h1-7,16H,(H,17,18)/p-1
InChIKeyMDPGGSSSOXCRRV-UHFFFAOYSA-M
MW248.21 g/mol
LogP2.07
Rot. Bonds3

About 2-(2,6-difluoroanilino)benzoate

2-(2,6-difluoroanilino)benzoate (PubChem CID 163199732) has the molecular formula C13H8F2NO2- and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)benzoate.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)benzoate
PubChem CID163199732
Molecular FormulaC13H8F2NO2-
Molecular Weight248.21 g/mol
Exact Mass248.05
IUPAC Name2-(2,6-difluoroanilino)benzoate
SMILESO=C([O-])c1ccccc1Nc1c(F)cccc1F
InChIInChI=1S/C13H9F2NO2/c14-9-5-3-6-10(15)12(9)16-11-7-2-1-4-8(11)13(17)18/h1-7,16H,(H,17,18)/p-1
InChIKeyMDPGGSSSOXCRRV-UHFFFAOYSA-M
XLogP2.07
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 2-fluorobenzoate
CID 19205780
2-(3-carboxylatoanilino)benzoate
CID 36690650
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
sodium 2-(2,3-dimethylanilino)-3-methylbenzoate
CID 23680214
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
copper bis(2-(3-chloro-2-methylanilino)benzoate)
CID 132532819
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;hydrate
CID 23663959
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;dihydrate
CID 23702523
dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
CID 139036983
sodium 2-acetamidobenzoate
CID 23702638
tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate
CID 160940580
2-(3-methoxyanilino)benzoate
CID 6943552

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)benzoate?
The IUPAC name of 2-(2,6-difluoroanilino)benzoate (CID 163199732) is 2-(2,6-difluoroanilino)benzoate.
What is the SMILES notation for 2-(2,6-difluoroanilino)benzoate?
The canonical SMILES for 2-(2,6-difluoroanilino)benzoate is O=C([O-])c1ccccc1Nc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluoroanilino)benzoate?
The InChIKey is MDPGGSSSOXCRRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9F2NO2/c14-9-5-3-6-10(15)12(9)16-11-7-2-1-4-8(11)13(17)18/h1-7,16H,(H,17,18)/p-1.
What are the key properties of 2-(2,6-difluoroanilino)benzoate?
2-(2,6-difluoroanilino)benzoate has a molecular weight of 248.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)benzoate is sourced from PubChem (CID 163199732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).