2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

C7H12F3NO — CID 130319502

IUPAC2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESC=C(CNCC(F)(F)F)OCC
InChIInChI=1S/C7H12F3NO/c1-3-12-6(2)4-11-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeySNAFQQIDUVJGES-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.69
Rot. Bonds5

About 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (PubChem CID 130319502) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
PubChem CID130319502
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESC=C(CNCC(F)(F)F)OCC
InChIInChI=1S/C7H12F3NO/c1-3-12-6(2)4-11-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeySNAFQQIDUVJGES-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine
CID 174257569
3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine
CID 174257570
2-ethoxy-3-fluoro-N-methylprop-2-en-1-amine
CID 174261668
2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine
CID 55300286
N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 61492468
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62566867
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828236
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]prop-2-en-1-amine
CID 66276422
N-[2-(2,2-difluoroethoxy)ethyl]prop-2-en-1-amine
CID 82008838
2-(2,2-difluoroethoxy)-N-prop-2-enylpropan-1-amine
CID 82010132
(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-en-1-amine
CID 105910047
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
CID 105910557

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The IUPAC name of 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (CID 130319502) is 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The canonical SMILES for 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is C=C(CNCC(F)(F)F)OCC.
What is the InChIKey of 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The InChIKey is SNAFQQIDUVJGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-12-6(2)4-11-5-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is sourced from PubChem (CID 130319502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).