2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid

C7H13F2NO2 — CID 105439204

IUPAC2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid
SMILESCCC(CN)(C(=O)O)C(C)(F)F
InChIInChI=1S/C7H13F2NO2/c1-3-7(4-10,5(11)12)6(2,8)9/h3-4,10H2,1-2H3,(H,11,12)
InChIKeyAKFASEOLQHQFBA-UHFFFAOYSA-N
MW181.18 g/mol
LogP1.08
Rot. Bonds4

About 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid

2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid (PubChem CID 105439204) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid
PubChem CID105439204
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid
SMILESCCC(CN)(C(=O)O)C(C)(F)F
InChIInChI=1S/C7H13F2NO2/c1-3-7(4-10,5(11)12)6(2,8)9/h3-4,10H2,1-2H3,(H,11,12)
InChIKeyAKFASEOLQHQFBA-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid (CID 105439204) is 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid is CCC(CN)(C(=O)O)C(C)(F)F.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid?
The InChIKey is AKFASEOLQHQFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-3-7(4-10,5(11)12)6(2,8)9/h3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid?
2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid has a molecular weight of 181.18 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoic acid is sourced from PubChem (CID 105439204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).