5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid

C10H12FNO3 — CID 117303699

IUPAC5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid
SMILESCC(C)(N)c1cc(F)c(O)c(C(=O)O)c1
InChIInChI=1S/C10H12FNO3/c1-10(2,12)5-3-6(9(14)15)8(13)7(11)4-5/h3-4,13H,12H2,1-2H3,(H,14,15)
InChIKeyTYFVCXLPBBDISR-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.42
Rot. Bonds2

About 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid

5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid (PubChem CID 117303699) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid
PubChem CID117303699
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid
SMILESCC(C)(N)c1cc(F)c(O)c(C(=O)O)c1
InChIInChI=1S/C10H12FNO3/c1-10(2,12)5-3-6(9(14)15)8(13)7(11)4-5/h3-4,13H,12H2,1-2H3,(H,14,15)
InChIKeyTYFVCXLPBBDISR-UHFFFAOYSA-N
XLogP1.42
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171021413
methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate
CID 117328495
2-(3,4,5-trifluorophenyl)propan-2-amine;hydrochloride
CID 154857245
5-(2-aminooxyethyl)-3-fluoro-2-hydroxybenzoic acid
CID 117306196
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
5-fluoro-2-hydroxy-3,4-dimethylbenzoic acid
CID 142521933
5-tert-butyl-3-(4-tert-butylphenyl)-2-hydroxybenzoic acid
CID 19832850
4-(2-aminopropan-2-yl)-2,6-dimethylphenol
CID 23620728
3,5-ditert-butyl-2-hydroxybenzoic acid;formamide;titanium
CID 174960919
5-(1-carboxy-2-methylpropan-2-yl)-2,3-difluorobenzoic acid
CID 117398703
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid (CID 117303699) is 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid is CC(C)(N)c1cc(F)c(O)c(C(=O)O)c1.
What is the InChIKey of 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid?
The InChIKey is TYFVCXLPBBDISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-10(2,12)5-3-6(9(14)15)8(13)7(11)4-5/h3-4,13H,12H2,1-2H3,(H,14,15).
What are the key properties of 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid?
5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 117303699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).