2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal

C11H20F3NO — CID 62278315

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

About 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal

2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal (PubChem CID 62278315) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal.

Molecular Properties

Compound Name2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal
PubChem CID62278315
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal
SMILESCCCN(CC(F)(F)F)CC(C)(C=O)CC
InChIInChI=1S/C11H20F3NO/c1-4-6-15(8-11(12,13)14)7-10(3,5-2)9-16/h9H,4-8H2,1-3H3
InChIKeyMUWBHRMAOLHTDW-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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Related Compounds

2-methyl-2-[[methyl(propyl)amino]methyl]butanal
CID 62275627
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255881
N,2-dimethyl-N',2-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256908
2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal
CID 62276624
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
CID 62275844
2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal
CID 102997025
2-methyl-2-[[methyl(2-methylsulfanylethyl)amino]methyl]butanal
CID 112664480
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal
CID 79379227
1-N,1-N-bis(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 162601173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The IUPAC name of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal (CID 62278315) is 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal.
What is the SMILES notation for 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The canonical SMILES for 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal is CCCN(CC(F)(F)F)CC(C)(C=O)CC.
What is the InChIKey of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The InChIKey is MUWBHRMAOLHTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-6-15(8-11(12,13)14)7-10(3,5-2)9-16/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal?
2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal 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-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal is sourced from PubChem (CID 62278315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).