2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid

C7H14FNO2 — CID 83855267

IUPAC2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(F)(CN)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-6(2,3)7(8,4-9)5(10)11/h4,9H2,1-3H3,(H,10,11)
InChIKeyZZDLOOQUBNFMEU-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.78
Rot. Bonds2

About 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid

2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid (PubChem CID 83855267) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid
PubChem CID83855267
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(F)(CN)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-6(2,3)7(8,4-9)5(10)11/h4,9H2,1-3H3,(H,10,11)
InChIKeyZZDLOOQUBNFMEU-UHFFFAOYSA-N
XLogP0.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid (CID 83855267) is 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid is CC(C)(C)C(F)(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid?
The InChIKey is ZZDLOOQUBNFMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-6(2,3)7(8,4-9)5(10)11/h4,9H2,1-3H3,(H,10,11).
What are the key properties of 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid?
2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid is sourced from PubChem (CID 83855267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).