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

C11H20F3NO — CID 102640758

IUPACN-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOCC(F)(F)F)CNCC
InChIInChI=1S/C11H20F3NO/c1-4-10(3,8-15-5-2)6-7-16-9-11(12,13)14/h4,15H,1,5-9H2,2-3H3
InChIKeyDATWBMYZYSOHPV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.76
Rot. Bonds8

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

N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine (PubChem CID 102640758) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
PubChem CID102640758
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOCC(F)(F)F)CNCC
InChIInChI=1S/C11H20F3NO/c1-4-10(3,8-15-5-2)6-7-16-9-11(12,13)14/h4,15H,1,5-9H2,2-3H3
InChIKeyDATWBMYZYSOHPV-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640416
N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640593
2-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640923
2-ethenyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640930
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641588
N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641752
2-ethenyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 113719590
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine (CID 102640758) is N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine is C=CC(C)(CCOCC(F)(F)F)CNCC.
What is the InChIKey of N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The InChIKey is DATWBMYZYSOHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-10(3,8-15-5-2)6-7-16-9-11(12,13)14/h4,15H,1,5-9H2,2-3H3.
What are the key properties of N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.76, 8 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-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).