2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal

C11H20F3NO — CID 62276789

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CC)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-6-10(3,9-16)7-15(5-2)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyMRNVMUCUIIQZKX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds7

About 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal (PubChem CID 62276789) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal
PubChem CID62276789
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CC)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-6-10(3,9-16)7-15(5-2)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyMRNVMUCUIIQZKX-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal (CID 62276789) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal is CCCC(C)(C=O)CN(CC)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal?
The InChIKey is MRNVMUCUIIQZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-6-10(3,9-16)7-15(5-2)8-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal has a molecular weight of 239.28 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal is sourced from PubChem (CID 62276789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).