2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid

C11H14FNO2 — CID 117047700

IUPAC2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)c1ccc(N)cc1F
InChIInChI=1S/C11H14FNO2/c1-3-11(2,10(14)15)8-5-4-7(13)6-9(8)12/h4-6H,3,13H2,1-2H3,(H,14,15)
InChIKeyBJYRCKJBVJRSSP-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.16
Rot. Bonds3

About 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid

2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid (PubChem CID 117047700) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid
PubChem CID117047700
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)c1ccc(N)cc1F
InChIInChI=1S/C11H14FNO2/c1-3-11(2,10(14)15)8-5-4-7(13)6-9(8)12/h4-6H,3,13H2,1-2H3,(H,14,15)
InChIKeyBJYRCKJBVJRSSP-UHFFFAOYSA-N
XLogP2.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid
CID 130648656
4-(2-aminobutan-2-yl)-3-fluoroaniline
CID 130134130
ethyl 4-amino-2-(4-amino-2-fluorophenyl)-2-methylbutanoate
CID 117049885
2-(4-aminophenyl)-2-methylbutanoic acid
CID 67863083
2-(4-amino-2-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049145
2-(4-amino-2-fluorophenyl)propan-2-ol
CID 122627261
2-(2,4-difluorophenyl)-2-ethylbutanoic acid
CID 64560988
2-(4-amino-2-fluorophenyl)-2,3-dimethylbutanoyl chloride
CID 117048072
2-(2,4-difluorophenyl)-2-methylpentanedioic acid
CID 117050132
ethyl 2-(4-bromo-2-fluorophenyl)-2-methylbutanoate
CID 117047713
3-(4-amino-2-fluorophenoxy)-2,2-dimethylpropanoic acid
CID 79623200
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid?
The IUPAC name of 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid (CID 117047700) is 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid is CCC(C)(C(=O)O)c1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid?
The InChIKey is BJYRCKJBVJRSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-11(2,10(14)15)8-5-4-7(13)6-9(8)12/h4-6H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid?
2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid is sourced from PubChem (CID 117047700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).