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

C9H16F3NO — CID 102640416

IUPAC2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CN)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-8(2,6-13)4-5-14-7-9(10,11)12/h3H,1,4-7,13H2,2H3
InChIKeyBATHFPMXGJMCOI-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.11
Rot. Bonds6

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

2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine (PubChem CID 102640416) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
PubChem CID102640416
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CN)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-8(2,6-13)4-5-14-7-9(10,11)12/h3H,1,4-7,13H2,2H3
InChIKeyBATHFPMXGJMCOI-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.11
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-Ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640423
N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640593
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-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719718
3-[(2,2-Dimethylpent-4-en-1-yl)oxy]-2,2-difluoropropan-1-amine
CID 165467201
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-[2-(2-Methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640311
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640320
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine (CID 102640416) is 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine is C=CC(C)(CN)CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The InChIKey is BATHFPMXGJMCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-8(2,6-13)4-5-14-7-9(10,11)12/h3H,1,4-7,13H2,2H3.
What are the key properties of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).