4-(tert-butylamino)-2-fluorobenzoic acid

C11H14FNO2 — CID 66789371

IUPAC4-(tert-butylamino)-2-fluorobenzoic acid
SMILESCC(C)(C)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-11(2,3)13-7-4-5-8(10(14)15)9(12)6-7/h4-6,13H,1-3H3,(H,14,15)
InChIKeyUSEJNOABVFWTLJ-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.73
Rot. Bonds2

About 4-(tert-butylamino)-2-fluorobenzoic acid

4-(tert-butylamino)-2-fluorobenzoic acid (PubChem CID 66789371) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(tert-butylamino)-2-fluorobenzoic acid
PubChem CID66789371
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-(tert-butylamino)-2-fluorobenzoic acid
SMILESCC(C)(C)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-11(2,3)13-7-4-5-8(10(14)15)9(12)6-7/h4-6,13H,1-3H3,(H,14,15)
InChIKeyUSEJNOABVFWTLJ-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
2-fluoro-4-(pentylamino)benzoic acid
CID 115485129
2-fluoro-4-(hexylamino)benzoic acid
CID 115485484
2-(4-acetyl-3-fluoroanilino)-2-methylpropanoic acid
CID 58083478
1-[5-(tert-butylamino)-2-fluorophenyl]-2,2-dimethylpropan-1-one
CID 171052927
2-fluoro-4-(2-methylprop-2-enylamino)benzoic acid
CID 114619128
2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
CID 66617902
2-fluoro-4-[(2-methyl-2-methylsulfonylpropyl)amino]benzoic acid
CID 115485540
2-fluoro-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzoic acid
CID 114150322
2-fluoro-4-(1,1,1-trifluorobutan-2-ylamino)benzoic acid
CID 146583768
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-fluorobenzoic acid
CID 103869120
2-fluoro-4-(trifluoromethylsulfonylamino)benzoic acid
CID 58727995

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-fluorobenzoic acid?
The IUPAC name of 4-(tert-butylamino)-2-fluorobenzoic acid (CID 66789371) is 4-(tert-butylamino)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(tert-butylamino)-2-fluorobenzoic acid?
The canonical SMILES for 4-(tert-butylamino)-2-fluorobenzoic acid is CC(C)(C)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-(tert-butylamino)-2-fluorobenzoic acid?
The InChIKey is USEJNOABVFWTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(2,3)13-7-4-5-8(10(14)15)9(12)6-7/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of 4-(tert-butylamino)-2-fluorobenzoic acid?
4-(tert-butylamino)-2-fluorobenzoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-fluorobenzoic acid is sourced from PubChem (CID 66789371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).