2-aminoacetic acid;2,3-difluorobenzaldehyde

C9H9F2NO3 — CID 23295601

IUPAC2-aminoacetic acid;2,3-difluorobenzaldehyde
SMILESNCC(=O)O.O=Cc1cccc(F)c1F
InChIInChI=1S/C7H4F2O.C2H5NO2/c8-6-3-1-2-5(4-10)7(6)9;3-1-2(4)5/h1-4H;1,3H2,(H,4,5)
InChIKeyVJBXOORLSGZPIU-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.81
Rot. Bonds2

About 2-aminoacetic acid;2,3-difluorobenzaldehyde

2-aminoacetic acid;2,3-difluorobenzaldehyde (PubChem CID 23295601) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 2-aminoacetic acid;2,3-difluorobenzaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;2,3-difluorobenzaldehyde
PubChem CID23295601
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name2-aminoacetic acid;2,3-difluorobenzaldehyde
SMILESNCC(=O)O.O=Cc1cccc(F)c1F
InChIInChI=1S/C7H4F2O.C2H5NO2/c8-6-3-1-2-5(4-10)7(6)9;3-1-2(4)5/h1-4H;1,3H2,(H,4,5)
InChIKeyVJBXOORLSGZPIU-UHFFFAOYSA-N
XLogP0.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Aminoacetic acid;cyclohexanamine;3-(trifluoromethyl)benzaldehyde
CID 23291764
2-Aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde
CID 23291880
2-Aminoacetic acid;3,5-bis(trifluoromethyl)benzaldehyde
CID 23295583
2-Aminoacetic acid;4-(trifluoromethyl)benzaldehyde
CID 23295596
(2S)-2,6-diaminohexanoic acid;4-(trifluoromethyl)benzaldehyde
CID 160743196
Benzaldehyde;2,2,2-trifluoroacetic acid
CID 160861235
4-Fluorobenzaldehyde;2,2,2-trifluoroacetic acid
CID 175910129
2-[(E)-3-aminoprop-1-enyl]-4,5-difluorobenzaldehyde
CID 117286617
DL-3-Fluoro-O-methyltyrosine
CID 138393515
5-(3-Aminoprop-1-enyl)-2-fluorobenzaldehyde
CID 169463454
3-(3-Aminoprop-1-enyl)-4-fluorobenzaldehyde
CID 169463461
4-(3-Aminoprop-1-enyl)-3-fluorobenzaldehyde
CID 169463462

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2,3-difluorobenzaldehyde?
The IUPAC name of 2-aminoacetic acid;2,3-difluorobenzaldehyde (CID 23295601) is 2-aminoacetic acid;2,3-difluorobenzaldehyde.
What is the SMILES notation for 2-aminoacetic acid;2,3-difluorobenzaldehyde?
The canonical SMILES for 2-aminoacetic acid;2,3-difluorobenzaldehyde is NCC(=O)O.O=Cc1cccc(F)c1F.
What is the InChIKey of 2-aminoacetic acid;2,3-difluorobenzaldehyde?
The InChIKey is VJBXOORLSGZPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O.C2H5NO2/c8-6-3-1-2-5(4-10)7(6)9;3-1-2(4)5/h1-4H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2,3-difluorobenzaldehyde?
2-aminoacetic acid;2,3-difluorobenzaldehyde has a molecular weight of 217.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2,3-difluorobenzaldehyde is sourced from PubChem (CID 23295601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).