3-(dimethylamino)-2,6-difluorobenzoic acid

C9H9F2NO2 — CID 130586913

IUPAC3-(dimethylamino)-2,6-difluorobenzoic acid
SMILESCN(C)c1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C9H9F2NO2/c1-12(2)6-4-3-5(10)7(8(6)11)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyZSOSMTPUQQOREO-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.73
Rot. Bonds2

About 3-(dimethylamino)-2,6-difluorobenzoic acid

3-(dimethylamino)-2,6-difluorobenzoic acid (PubChem CID 130586913) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 3-(dimethylamino)-2,6-difluorobenzoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2,6-difluorobenzoic acid
PubChem CID130586913
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name3-(dimethylamino)-2,6-difluorobenzoic acid
SMILESCN(C)c1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C9H9F2NO2/c1-12(2)6-4-3-5(10)7(8(6)11)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyZSOSMTPUQQOREO-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(dimethylamino)-6-fluorobenzoic acid
CID 154184527
3-[cyclopropyl(methylsulfonyl)amino]-2,6-difluorobenzoic acid
CID 66840853
2-carboxy-1,3-difluoro-4-[propyl(sulfinato)amino]benzene
CID 68726268
3-[bis(butylsulfonyl)amino]-2,6-difluorobenzoic acid
CID 123294885
2,6-difluoro-3-propan-2-ylbenzoic acid
CID 20820281
3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid
CID 67052501
2-amino-6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 83207069
3-[3-(dimethylamino)propylsulfonyl]-2,6-difluorobenzoic acid
CID 114525754
3-chlorosulfonyl-2,6-difluorobenzoic acid
CID 3304796
3-carboxy-2,4-difluorobenzenesulfinate
CID 118469300
3-fluoro-6-methylsulfanylphthalic acid
CID 91881828
3-amino-2,6-difluorobenzoic acid;3-[bis(propylsulfonyl)amino]-2-fluoro-6-methylbenzoic acid
CID 162221178

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,6-difluorobenzoic acid?
The IUPAC name of 3-(dimethylamino)-2,6-difluorobenzoic acid (CID 130586913) is 3-(dimethylamino)-2,6-difluorobenzoic acid.
What is the SMILES notation for 3-(dimethylamino)-2,6-difluorobenzoic acid?
The canonical SMILES for 3-(dimethylamino)-2,6-difluorobenzoic acid is CN(C)c1ccc(F)c(C(=O)O)c1F.
What is the InChIKey of 3-(dimethylamino)-2,6-difluorobenzoic acid?
The InChIKey is ZSOSMTPUQQOREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-12(2)6-4-3-5(10)7(8(6)11)9(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 3-(dimethylamino)-2,6-difluorobenzoic acid?
3-(dimethylamino)-2,6-difluorobenzoic acid has a molecular weight of 201.17 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,6-difluorobenzoic acid is sourced from PubChem (CID 130586913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).