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

C12H22F3NO — CID 62276407

IUPAC2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal
SMILESCCCC(C)(CN(CC(F)(F)F)C(C)C)C=O
InChIInChI=1S/C12H22F3NO/c1-5-6-11(4,9-17)7-16(10(2)3)8-12(13,14)15/h9-10H,5-8H2,1-4H3
InChIKeyUTMAQPMSWQINMG-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.40
Rot. Bonds7

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

2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal (PubChem CID 62276407) has the molecular formula C12H22F3NO and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal.

Molecular Properties

Compound Name2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal
PubChem CID62276407
Molecular FormulaC12H22F3NO
Molecular Weight253.30 g/mol
Exact Mass253.17
IUPAC Name2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal
SMILESCCCC(C)(CN(CC(F)(F)F)C(C)C)C=O
InChIInChI=1S/C12H22F3NO/c1-5-6-11(4,9-17)7-16(10(2)3)8-12(13,14)15/h9-10H,5-8H2,1-4H3
InChIKeyUTMAQPMSWQINMG-UHFFFAOYSA-N
XLogP3.40
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity240

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55050877
1-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 55050879
2-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 55050926
2-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pentanal
CID 55141552
2-Methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal
CID 62275827
1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276021
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
1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276596
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62276598
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

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal?
The IUPAC name of 2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal (CID 62276407) is 2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal.
What is the SMILES notation for 2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal?
The canonical SMILES for 2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal is CCCC(C)(CN(CC(F)(F)F)C(C)C)C=O.
What is the InChIKey of 2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal?
The InChIKey is UTMAQPMSWQINMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-5-6-11(4,9-17)7-16(10(2)3)8-12(13,14)15/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal?
2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal has a molecular weight of 253.30 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pentanal is sourced from PubChem (CID 62276407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).