2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal

C11H20F3NO — CID 62276598

IUPAC2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal
SMILESCCC(C)(C=O)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H20F3NO/c1-5-10(4,8-16)6-15(9(2)3)7-11(12,13)14/h8-9H,5-7H2,1-4H3
InChIKeyZFWOJIMPAFZGGC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.87
Rot. Bonds6

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

2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal (PubChem CID 62276598) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal.

Molecular Properties

Compound Name2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal
PubChem CID62276598
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal
SMILESCCC(C)(C=O)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H20F3NO/c1-5-10(4,8-16)6-15(9(2)3)7-11(12,13)14/h8-9H,5-7H2,1-4H3
InChIKeyZFWOJIMPAFZGGC-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,3-Difluorobutyl(ethyl)amino]-2,2-dimethylpropanal
CID 143181550
2-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 55050926
2-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal
CID 62275827
2-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276023
2-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276207
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal
CID 62276407
2,2-Dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276597
2-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276599
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylpentanal
CID 62276789
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanal
CID 62276978
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanal
CID 62276979
2-Ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The IUPAC name of 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal (CID 62276598) is 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal.
What is the SMILES notation for 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The canonical SMILES for 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal is CCC(C)(C=O)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal?
The InChIKey is ZFWOJIMPAFZGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-5-10(4,8-16)6-15(9(2)3)7-11(12,13)14/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal?
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal has a molecular weight of 239.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal is sourced from PubChem (CID 62276598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).