2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid

C11H13F2NO2 — CID 106489296

IUPAC2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid
SMILESNCC(CC(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H13F2NO2/c12-9(13)6-11(7-14,10(15)16)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H,15,16)
InChIKeyUUSVHIQPVASECV-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.62
Rot. Bonds5

About 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid

2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid (PubChem CID 106489296) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid
PubChem CID106489296
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid
SMILESNCC(CC(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H13F2NO2/c12-9(13)6-11(7-14,10(15)16)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H,15,16)
InChIKeyUUSVHIQPVASECV-UHFFFAOYSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 106509226
2-(aminomethyl)-5-hydroxy-4-methyl-2-phenylpentanoic acid
CID 106489383
2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-phenylpropanoic acid
CID 106489364
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-(aminomethyl)-4-hydroxy-2-(3-methylphenyl)pentanoic acid
CID 106490768
2-(aminomethyl)-5-methoxy-2-phenylpentanoic acid
CID 106489362
2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363
2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
CID 105466548
2-(aminomethyl)-5-(2-methoxyethoxy)-2-phenylpentanoic acid
CID 106489358
2-(aminomethyl)-3-(6-methyl-2-pyridinyl)-2-phenylpropanoic acid
CID 106489334
3-amino-2-phenyl-2-sulfanylpropanoic acid
CID 152609798
2-(aminomethyl)-4-(3-methoxypropoxy)-2-phenylbutanoic acid
CID 106489385

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid (CID 106489296) is 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid is NCC(CC(F)F)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid?
The InChIKey is UUSVHIQPVASECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-9(13)6-11(7-14,10(15)16)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2,(H,15,16).
What are the key properties of 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid?
2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid has a molecular weight of 229.23 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-difluoro-2-phenylbutanoic acid is sourced from PubChem (CID 106489296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).