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

C12H22F3NO2 — CID 102641752

IUPACN-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C12H22F3NO2/c1-4-11(2,9-16-6-8-17-3)5-7-18-10-12(13,14)15/h4,16H,1,5-10H2,2-3H3
InChIKeyRZXQPWMFYSSYTO-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.38
Rot. Bonds10

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

N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine (PubChem CID 102641752) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
PubChem CID102641752
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C12H22F3NO2/c1-4-11(2,9-16-6-8-17-3)5-7-18-10-12(13,14)15/h4,16H,1,5-10H2,2-3H3
InChIKeyRZXQPWMFYSSYTO-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-2-(difluoromethyl)-N-[2-(2-methoxyethoxy)ethyl]-2-prop-1-en-2-ylpent-3-en-1-amine
CID 169685910
N-(2-methoxyethyl)-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62726377
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-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
2-ethenyl-N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641758
4-methoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 105892663
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
N-(2-methoxyethyl)-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 113867470

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine (CID 102641752) is N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine is C=CC(C)(CCOCC(F)(F)F)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
The InChIKey is RZXQPWMFYSSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-4-11(2,9-16-6-8-17-3)5-7-18-10-12(13,14)15/h4,16H,1,5-10H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine?
N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102641752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).