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

C10H18F3NO — CID 106706233

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

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

N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine (PubChem CID 106706233) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
PubChem CID106706233
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-9(3,6-14-5-2)7-15-8-10(11,12)13/h4,14H,1,5-8H2,2-3H3
InChIKeyAJIVWMVDZSCWPJ-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706231
N,2-dimethyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706232
2-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706234
2-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706235
N-[2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-enyl]cyclopropanamine
CID 106706236
N-tert-butyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706237
2-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706238
N-(2-methoxyethyl)-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 113867470
(E)-N-[3-(2,2,2-trifluoroethoxy)propyl]pent-3-en-1-amine
CID 116034099
N-[3-(2,2,2-trifluoroethoxy)propyl]but-3-en-1-amine
CID 116034465
N-[3-(2,2,2-trifluoroethoxy)propyl]pent-4-en-2-amine
CID 116040103
N-[3-(2,2,2-trifluoroethoxy)propyl]but-3-en-2-amine
CID 116145844

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine (CID 106706233) is N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine is C=CC(C)(CNCC)COCC(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine?
The InChIKey is AJIVWMVDZSCWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-9(3,6-14-5-2)7-15-8-10(11,12)13/h4,14H,1,5-8H2,2-3H3.
What are the key properties of N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine?
N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)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-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine is sourced from PubChem (CID 106706233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).