N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine

C7H12F3NO — CID 103074348

IUPACN-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(3-11-2)4-12-5-7(8,9)10/h11H,1,3-5H2,2H3
InChIKeyBRPQVOSJQKINPE-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.34
Rot. Bonds5

About N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine

N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine (PubChem CID 103074348) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
PubChem CID103074348
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(3-11-2)4-12-5-7(8,9)10/h11H,1,3-5H2,2H3
InChIKeyBRPQVOSJQKINPE-UHFFFAOYSA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine 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

(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 19858177
(Z)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 52914478
2-(Ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 54519097
N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
2-(2,2,2-Trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074347
N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine (CID 103074348) is N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine is C=C(CNC)COCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine?
The InChIKey is BRPQVOSJQKINPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(3-11-2)4-12-5-7(8,9)10/h11H,1,3-5H2,2H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine?
N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).