2,6-difluoro-3-(propylamino)benzoic acid

C10H11F2NO2 — CID 171338126

IUPAC2,6-difluoro-3-(propylamino)benzoic acid
SMILESCCCNc1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H11F2NO2/c1-2-5-13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKeySNDFLESDZFTSBX-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.48
Rot. Bonds4

About 2,6-difluoro-3-(propylamino)benzoic acid

2,6-difluoro-3-(propylamino)benzoic acid (PubChem CID 171338126) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2,6-difluoro-3-(propylamino)benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-(propylamino)benzoic acid
PubChem CID171338126
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2,6-difluoro-3-(propylamino)benzoic acid
SMILESCCCNc1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H11F2NO2/c1-2-5-13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChIKeySNDFLESDZFTSBX-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2-bromo-3-fluoro-4-(propylamino)benzoic acid
CID 107539907
2,6-difluoro-3-(propylsulfinylamino)benzoic acid
CID 137483384
2,6-difluoro-3-(pentylsulfonylamino)benzoic acid
CID 135240282
3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid
CID 67052501
2-amino-3-fluoro-6-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
CID 83207393
2-amino-3-fluoro-6-(hexylamino)benzoic acid
CID 83207621
2,6-difluoro-3-(2,2,2-trifluoroethylsulfanylamino)benzoic acid
CID 162557674
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108940771
2,6-difluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 83410744
1-(2,6-difluoro-3-methylphenyl)-2-(propylamino)ethanone
CID 116562947
3-(2,2-difluoroethylsulfonyl)-2,6-difluorobenzoic acid
CID 54939186

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(propylamino)benzoic acid?
The IUPAC name of 2,6-difluoro-3-(propylamino)benzoic acid (CID 171338126) is 2,6-difluoro-3-(propylamino)benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-(propylamino)benzoic acid?
The canonical SMILES for 2,6-difluoro-3-(propylamino)benzoic acid is CCCNc1ccc(F)c(C(=O)O)c1F.
What is the InChIKey of 2,6-difluoro-3-(propylamino)benzoic acid?
The InChIKey is SNDFLESDZFTSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-2-5-13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15).
What are the key properties of 2,6-difluoro-3-(propylamino)benzoic acid?
2,6-difluoro-3-(propylamino)benzoic acid has a molecular weight of 215.20 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(propylamino)benzoic acid is sourced from PubChem (CID 171338126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).