2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid

C6H10F3NO2 — CID 106487178

IUPAC2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid
SMILESCC(CN)(CC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO2/c1-5(3-10,4(11)12)2-6(7,8)9/h2-3,10H2,1H3,(H,11,12)
InChIKeyMFLWGMUYAVXIKJ-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.99
Rot. Bonds3

About 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid

2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid (PubChem CID 106487178) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid
PubChem CID106487178
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid
SMILESCC(CN)(CC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO2/c1-5(3-10,4(11)12)2-6(7,8)9/h2-3,10H2,1H3,(H,11,12)
InChIKeyMFLWGMUYAVXIKJ-UHFFFAOYSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid (CID 106487178) is 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid is CC(CN)(CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid?
The InChIKey is MFLWGMUYAVXIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-5(3-10,4(11)12)2-6(7,8)9/h2-3,10H2,1H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid?
2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid is sourced from PubChem (CID 106487178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).