N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine

C10H18F3NO — CID 102640593

IUPACN,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOCC(F)(F)F)CNC
InChIInChI=1S/C10H18F3NO/c1-4-9(2,7-14-3)5-6-15-8-10(11,12)13/h4,14H,1,5-8H2,2-3H3
InChIKeyBLJMHIRGERBTGD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.37
Rot. Bonds7

About N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine

N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine (PubChem CID 102640593) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
PubChem CID102640593
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOCC(F)(F)F)CNC
InChIInChI=1S/C10H18F3NO/c1-4-9(2,7-14-3)5-6-15-8-10(11,12)13/h4,14H,1,5-8H2,2-3H3
InChIKeyBLJMHIRGERBTGD-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]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-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640416
2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640758
2-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640923
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641752
N-[2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-enyl]cyclopropanamine
CID 113719679
N-tert-butyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719697
2-methyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719718
2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640488
2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine
CID 102640490
2-(2-butoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640507

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The IUPAC name of N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine (CID 102640593) is N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The canonical SMILES for N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine is C=CC(C)(CCOCC(F)(F)F)CNC.
What is the InChIKey of N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The InChIKey is BLJMHIRGERBTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-9(2,7-14-3)5-6-15-8-10(11,12)13/h4,14H,1,5-8H2,2-3H3.
What are the key properties of N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).