2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde

C10H10F3NO3 — CID 23295596

IUPAC2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde
SMILESNCC(=O)O.O=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H5F3O.C2H5NO2/c9-8(10,11)7-3-1-6(5-12)2-4-7;3-1-2(4)5/h1-5H;1,3H2,(H,4,5)
InChIKeyIGHDIHRUBUGBJS-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.55
Rot. Bonds2

About 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde

2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde (PubChem CID 23295596) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde
PubChem CID23295596
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde
SMILESNCC(=O)O.O=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H5F3O.C2H5NO2/c9-8(10,11)7-3-1-6(5-12)2-4-7;3-1-2(4)5/h1-5H;1,3H2,(H,4,5)
InChIKeyIGHDIHRUBUGBJS-UHFFFAOYSA-N
XLogP1.55
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde (CID 23295596) is 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde is NCC(=O)O.O=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde?
The InChIKey is IGHDIHRUBUGBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O.C2H5NO2/c9-8(10,11)7-3-1-6(5-12)2-4-7;3-1-2(4)5/h1-5H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde?
2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde has a molecular weight of 249.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 23295596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).