2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal

C10H18F3NO — CID 62275827

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

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

2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal (PubChem CID 62275827) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal.

Molecular Properties

Compound Name2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal
PubChem CID62275827
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal
SMILESCCCC(C)(C=O)CN(C)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-5-9(2,8-15)6-14(3)7-10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyJXWIYRBSMRVGRO-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-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal?
The IUPAC name of 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal (CID 62275827) is 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal.
What is the SMILES notation for 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal?
The canonical SMILES for 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal is CCCC(C)(C=O)CN(C)CC(F)(F)F.
What is the InChIKey of 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal?
The InChIKey is JXWIYRBSMRVGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-5-9(2,8-15)6-14(3)7-10(11,12)13/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal?
2-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal 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-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pentanal is sourced from PubChem (CID 62275827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).