2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid

C11H11F4NO2 — CID 79512136

IUPAC2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
SMILESCN(CCC(F)(F)F)c1cccc(F)c1C(=O)O
InChIInChI=1S/C11H11F4NO2/c1-16(6-5-11(13,14)15)8-4-2-3-7(12)9(8)10(17)18/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyWCWWXYSTYNKZBG-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.91
Rot. Bonds4

About 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid

2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid (PubChem CID 79512136) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
PubChem CID79512136
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
SMILESCN(CCC(F)(F)F)c1cccc(F)c1C(=O)O
InChIInChI=1S/C11H11F4NO2/c1-16(6-5-11(13,14)15)8-4-2-3-7(12)9(8)10(17)18/h2-4H,5-6H2,1H3,(H,17,18)
InChIKeyWCWWXYSTYNKZBG-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
CID 79522128
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283
2-bromo-6-[methyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 114888085
3-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]prop-2-enoic acid
CID 77073251
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 79522285
2-fluoro-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzoic acid
CID 79512320
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764
2-fluoro-6-methylbenzoic acid
CID 13478132
2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid
CID 79511953
2-fluoro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 79511951
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid (CID 79512136) is 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid is CN(CCC(F)(F)F)c1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid?
The InChIKey is WCWWXYSTYNKZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-16(6-5-11(13,14)15)8-4-2-3-7(12)9(8)10(17)18/h2-4H,5-6H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid?
2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid has a molecular weight of 265.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid is sourced from PubChem (CID 79512136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).