2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

C8H14F3NO — CID 114467454

IUPAC2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2)5-13-4-3-12-6-8(9,10)11/h12H,1,3-6H2,2H3
InChIKeySOFZCKMWGSLPJT-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.73
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (PubChem CID 114467454) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
PubChem CID114467454
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2)5-13-4-3-12-6-8(9,10)11/h12H,1,3-6H2,2H3
InChIKeySOFZCKMWGSLPJT-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.73
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 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine 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-prop-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570819
2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)ethanamine
CID 62570974
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828236
N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine
CID 76946787
1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
N-ethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
CID 103074928
2-(2,2-difluoroethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103075025
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (CID 114467454) is 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is C=C(C)COCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The InChIKey is SOFZCKMWGSLPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2)5-13-4-3-12-6-8(9,10)11/h12H,1,3-6H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is sourced from PubChem (CID 114467454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).