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

C10H18F3NO — CID 62276979

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal
SMILESCCN(CC(F)(F)F)CC(C)(C=O)CC
InChIInChI=1S/C10H18F3NO/c1-4-9(3,8-15)6-14(5-2)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyNGPRFVMCZXMCCD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds6

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

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal (PubChem CID 62276979) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal
PubChem CID62276979
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal
SMILESCCN(CC(F)(F)F)CC(C)(C=O)CC
InChIInChI=1S/C10H18F3NO/c1-4-9(3,8-15)6-14(5-2)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyNGPRFVMCZXMCCD-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
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-methylbutanal?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal (CID 62276979) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal is CCN(CC(F)(F)F)CC(C)(C=O)CC.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal?
The InChIKey is NGPRFVMCZXMCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-9(3,8-15)6-14(5-2)7-10(11,12)13/h8H,4-7H2,1-3H3.
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal has a molecular weight of 225.25 g/mol, XLogP of 2.49, 6 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-methylbutanal is sourced from PubChem (CID 62276979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).