1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde

C13H22F3NO — CID 55050877

IUPAC1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCC(C)N(CC(F)(F)F)CC1(C=O)CCCCC1
InChIInChI=1S/C13H22F3NO/c1-11(2)17(9-13(14,15)16)8-12(10-18)6-4-3-5-7-12/h10-11H,3-9H2,1-2H3
InChIKeyGCYFFTQQCMBCCA-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds5

About 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde

1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 55050877) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID55050877
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCC(C)N(CC(F)(F)F)CC1(C=O)CCCCC1
InChIInChI=1S/C13H22F3NO/c1-11(2)17(9-13(14,15)16)8-12(10-18)6-4-3-5-7-12/h10-11H,3-9H2,1-2H3
InChIKeyGCYFFTQQCMBCCA-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 55050877) is 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde is CC(C)N(CC(F)(F)F)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is GCYFFTQQCMBCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-11(2)17(9-13(14,15)16)8-12(10-18)6-4-3-5-7-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 265.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 55050877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).