2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal

C8H14F3NO — CID 62276022

IUPAC2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal
SMILESCN(CC(F)(F)F)CC(C)(C)C=O
InChIInChI=1S/C8H14F3NO/c1-7(2,6-13)4-12(3)5-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyBDVGNKUTKYPZSM-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds4

About 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal

2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal (PubChem CID 62276022) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal
PubChem CID62276022
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal
SMILESCN(CC(F)(F)F)CC(C)(C)C=O
InChIInChI=1S/C8H14F3NO/c1-7(2,6-13)4-12(3)5-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyBDVGNKUTKYPZSM-UHFFFAOYSA-N
XLogP1.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
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 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal?
The IUPAC name of 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal (CID 62276022) is 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal?
The canonical SMILES for 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal is CN(CC(F)(F)F)CC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal?
The InChIKey is BDVGNKUTKYPZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2,6-13)4-12(3)5-8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal?
2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal has a molecular weight of 197.20 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanal is sourced from PubChem (CID 62276022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).