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

C16H23F3N2O3 — CID 23291880

IUPAC2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H5F3O.C6H13N.C2H5NO2/c9-8(10,11)7-3-1-6(5-12)2-4-7;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-5H;6H,1-5,7H2;1,3H2,(H,4,5)
InChIKeySVXFFPIYGDOTFM-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.83
Rot. Bonds2

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

2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde (PubChem CID 23291880) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde
PubChem CID23291880
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Name2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde
SMILESNC1CCCCC1.NCC(=O)O.O=Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H5F3O.C6H13N.C2H5NO2/c9-8(10,11)7-3-1-6(5-12)2-4-7;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-5H;6H,1-5,7H2;1,3H2,(H,4,5)
InChIKeySVXFFPIYGDOTFM-UHFFFAOYSA-N
XLogP2.83
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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;cyclohexanamine;4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde (CID 23291880) is 2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde is NC1CCCCC1.NCC(=O)O.O=Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde?
The InChIKey is SVXFFPIYGDOTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O.C6H13N.C2H5NO2/c9-8(10,11)7-3-1-6(5-12)2-4-7;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-5H;6H,1-5,7H2;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde?
2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde has a molecular weight of 348.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;cyclohexanamine;4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 23291880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).