2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid

C11H11F4NO2 — CID 79522128

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
SMILESCCN(CC(F)(F)F)c1cccc(F)c1C(=O)O
InChIInChI=1S/C11H11F4NO2/c1-2-16(6-11(13,14)15)8-5-3-4-7(12)9(8)10(17)18/h3-5H,2,6H2,1H3,(H,17,18)
InChIKeyJNBWJMJVOFQJDW-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.91
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid

2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid (PubChem CID 79522128) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
PubChem CID79522128
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
SMILESCCN(CC(F)(F)F)c1cccc(F)c1C(=O)O
InChIInChI=1S/C11H11F4NO2/c1-2-16(6-11(13,14)15)8-5-3-4-7(12)9(8)10(17)18/h3-5H,2,6H2,1H3,(H,17,18)
InChIKeyJNBWJMJVOFQJDW-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-amino-6-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzoic acid
CID 83207181
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
CID 55010180
2-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 79516687
2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
CID 79512136
lithium;2-(diethylamino)-6-methylbenzoic acid;diethylazanide;2,6-difluorobenzoic acid
CID 158181217
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid
CID 107935629
1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanone
CID 60678476
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
4-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 82785995
2-fluoro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzoic acid
CID 79511951
2-(N-ethyl-3-methylanilino)-6-fluorobenzoic acid
CID 79523101
2-amino-6-(diethylamino)-3-fluorobenzoic acid
CID 83215090

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid (CID 79522128) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid is CCN(CC(F)(F)F)c1cccc(F)c1C(=O)O.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid?
The InChIKey is JNBWJMJVOFQJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-2-16(6-11(13,14)15)8-5-3-4-7(12)9(8)10(17)18/h3-5H,2,6H2,1H3,(H,17,18).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid?
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic 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-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 79522128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).