2-amino-4,4-difluoro-3-methylbutanoic acid

C5H9F2NO2 — CID 4654300

IUPAC2-amino-4,4-difluoro-3-methylbutanoic acid
SMILESCC(C(F)F)C(N)C(=O)O
InChIInChI=1S/C5H9F2NO2/c1-2(4(6)7)3(8)5(9)10/h2-4H,8H2,1H3,(H,9,10)
InChIKeyJITMBQBFCHBXQH-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.30
Rot. Bonds3

About 2-amino-4,4-difluoro-3-methylbutanoic acid

2-amino-4,4-difluoro-3-methylbutanoic acid (PubChem CID 4654300) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 2-amino-4,4-difluoro-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4,4-difluoro-3-methylbutanoic acid
PubChem CID4654300
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name2-amino-4,4-difluoro-3-methylbutanoic acid
SMILESCC(C(F)F)C(N)C(=O)O
InChIInChI=1S/C5H9F2NO2/c1-2(4(6)7)3(8)5(9)10/h2-4H,8H2,1H3,(H,9,10)
InChIKeyJITMBQBFCHBXQH-UHFFFAOYSA-N
XLogP0.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluoro-3-methylbutanoic acid?
The IUPAC name of 2-amino-4,4-difluoro-3-methylbutanoic acid (CID 4654300) is 2-amino-4,4-difluoro-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-4,4-difluoro-3-methylbutanoic acid?
The canonical SMILES for 2-amino-4,4-difluoro-3-methylbutanoic acid is CC(C(F)F)C(N)C(=O)O.
What is the InChIKey of 2-amino-4,4-difluoro-3-methylbutanoic acid?
The InChIKey is JITMBQBFCHBXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-2(4(6)7)3(8)5(9)10/h2-4H,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-4,4-difluoro-3-methylbutanoic acid?
2-amino-4,4-difluoro-3-methylbutanoic acid has a molecular weight of 153.13 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluoro-3-methylbutanoic acid is sourced from PubChem (CID 4654300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).