2-(aminomethyl)-2-(fluoromethyl)butanoic acid

C6H12FNO2 — CID 105429306

IUPAC2-(aminomethyl)-2-(fluoromethyl)butanoic acid
SMILESCCC(CN)(CF)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-2-6(3-7,4-8)5(9)10/h2-4,8H2,1H3,(H,9,10)
InChIKeyCSMVVGJNMQFAGT-UHFFFAOYSA-N
MW149.17 g/mol
LogP0.40
Rot. Bonds4

About 2-(aminomethyl)-2-(fluoromethyl)butanoic acid

2-(aminomethyl)-2-(fluoromethyl)butanoic acid (PubChem CID 105429306) has the molecular formula C6H12FNO2 and a molecular weight of 149.17 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(fluoromethyl)butanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(fluoromethyl)butanoic acid
PubChem CID105429306
Molecular FormulaC6H12FNO2
Molecular Weight149.17 g/mol
Exact Mass149.09
IUPAC Name2-(aminomethyl)-2-(fluoromethyl)butanoic acid
SMILESCCC(CN)(CF)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-2-6(3-7,4-8)5(9)10/h2-4,8H2,1H3,(H,9,10)
InChIKeyCSMVVGJNMQFAGT-UHFFFAOYSA-N
XLogP0.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(fluoromethyl)butanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(fluoromethyl)butanoic acid (CID 105429306) is 2-(aminomethyl)-2-(fluoromethyl)butanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(fluoromethyl)butanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(fluoromethyl)butanoic acid is CCC(CN)(CF)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-(fluoromethyl)butanoic acid?
The InChIKey is CSMVVGJNMQFAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-2-6(3-7,4-8)5(9)10/h2-4,8H2,1H3,(H,9,10).
What are the key properties of 2-(aminomethyl)-2-(fluoromethyl)butanoic acid?
2-(aminomethyl)-2-(fluoromethyl)butanoic acid has a molecular weight of 149.17 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(fluoromethyl)butanoic acid is sourced from PubChem (CID 105429306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).