2,3-bis(dimethylamino)-6-fluorobenzoic acid

C11H15FN2O2 — CID 154184527

IUPAC2,3-bis(dimethylamino)-6-fluorobenzoic acid
SMILESCN(C)c1ccc(F)c(C(=O)O)c1N(C)C
InChIInChI=1S/C11H15FN2O2/c1-13(2)8-6-5-7(12)9(11(15)16)10(8)14(3)4/h5-6H,1-4H3,(H,15,16)
InChIKeyODDCEIBGONHRJG-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.66
Rot. Bonds3

About 2,3-bis(dimethylamino)-6-fluorobenzoic acid

2,3-bis(dimethylamino)-6-fluorobenzoic acid (PubChem CID 154184527) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2,3-bis(dimethylamino)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2,3-bis(dimethylamino)-6-fluorobenzoic acid
PubChem CID154184527
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2,3-bis(dimethylamino)-6-fluorobenzoic acid
SMILESCN(C)c1ccc(F)c(C(=O)O)c1N(C)C
InChIInChI=1S/C11H15FN2O2/c1-13(2)8-6-5-7(12)9(11(15)16)10(8)14(3)4/h5-6H,1-4H3,(H,15,16)
InChIKeyODDCEIBGONHRJG-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-2,6-difluorobenzoic acid
CID 130586913
2,3-bis(dimethylamino)benzoic acid
CID 19707647
4-(dimethylamino)-3,5-difluorobenzoic acid
CID 63078254
3-fluoro-6-methylsulfanylphthalic acid
CID 91881828
2-amino-6-(diethylamino)-3-fluorobenzoic acid
CID 83215090
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
3-bromo-6-fluorophthalic acid
CID 164890532
3-amino-6-fluorophthalic acid
CID 142417413
3-[cyclopropyl(methylsulfonyl)amino]-2,6-difluorobenzoic acid
CID 66840853
2-amino-6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 83207069
2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
CID 117115111
1-[4-(dimethylamino)-3-fluorophenyl]-2,2,2-trifluoroethanone
CID 83388961

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(dimethylamino)-6-fluorobenzoic acid?
The IUPAC name of 2,3-bis(dimethylamino)-6-fluorobenzoic acid (CID 154184527) is 2,3-bis(dimethylamino)-6-fluorobenzoic acid.
What is the SMILES notation for 2,3-bis(dimethylamino)-6-fluorobenzoic acid?
The canonical SMILES for 2,3-bis(dimethylamino)-6-fluorobenzoic acid is CN(C)c1ccc(F)c(C(=O)O)c1N(C)C.
What is the InChIKey of 2,3-bis(dimethylamino)-6-fluorobenzoic acid?
The InChIKey is ODDCEIBGONHRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-13(2)8-6-5-7(12)9(11(15)16)10(8)14(3)4/h5-6H,1-4H3,(H,15,16).
What are the key properties of 2,3-bis(dimethylamino)-6-fluorobenzoic acid?
2,3-bis(dimethylamino)-6-fluorobenzoic acid has a molecular weight of 226.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(dimethylamino)-6-fluorobenzoic acid is sourced from PubChem (CID 154184527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).