2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine

C11H20F3NO — CID 106706235

IUPAC2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-5-10(4,6-15-9(2)3)7-16-8-11(12,13)14/h5,9,15H,1,6-8H2,2-4H3
InChIKeyNJZGKKRZULUEFJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.76
Rot. Bonds7

About 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine

2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine (PubChem CID 106706235) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
PubChem CID106706235
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-5-10(4,6-15-9(2)3)7-16-8-11(12,13)14/h5,9,15H,1,6-8H2,2-4H3
InChIKeyNJZGKKRZULUEFJ-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine 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

2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486
N-ethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148517
N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148669
N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148691
1-(2,2-difluoroethoxy)-N-ethylhex-5-en-3-amine
CID 103149488
5-(2,2-difluoroethoxy)-N-ethylpent-1-en-3-amine
CID 103149542
1-(2,2-difluoroethoxy)-N-propylhex-5-en-3-amine
CID 103149807
5-(2,2-difluoroethoxy)-N-propylpent-1-en-3-amine
CID 103149851
N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215667
N,2-dimethyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706232
N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine (CID 106706235) is 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine is C=CC(C)(CNC(C)C)COCC(F)(F)F.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine?
The InChIKey is NJZGKKRZULUEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-5-10(4,6-15-9(2)3)7-16-8-11(12,13)14/h5,9,15H,1,6-8H2,2-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine?
2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine is sourced from PubChem (CID 106706235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).