1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde

C10H16F3NO — CID 62276021

IUPAC1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCN(CC(F)(F)F)CC1(C=O)CCCC1
InChIInChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)6-9(8-15)4-2-3-5-9/h8H,2-7H2,1H3
InChIKeyKEXJSQAYZNGERM-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.24
Rot. Bonds4

About 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62276021) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62276021
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCN(CC(F)(F)F)CC1(C=O)CCCC1
InChIInChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)6-9(8-15)4-2-3-5-9/h8H,2-7H2,1H3
InChIKeyKEXJSQAYZNGERM-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-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-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62276021) is 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde is CN(CC(F)(F)F)CC1(C=O)CCCC1.
What is the InChIKey of 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is KEXJSQAYZNGERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)6-9(8-15)4-2-3-5-9/h8H,2-7H2,1H3.
What are the key properties of 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62276021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).