(E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine

C5H8F3N — CID 14066876

IUPAC(E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine
SMILESCCN/C=C/C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-9-4-3-5(6,7)8/h3-4,9H,2H2,1H3/b4-3+
InChIKeyCEGKBFGSYVBYBW-ONEGZZNKSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds2

About (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine

(E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine (PubChem CID 14066876) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine
PubChem CID14066876
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine
SMILESCCN/C=C/C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-9-4-3-5(6,7)8/h3-4,9H,2H2,1H3/b4-3+
InChIKeyCEGKBFGSYVBYBW-ONEGZZNKSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine?
The IUPAC name of (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine (CID 14066876) is (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine?
The canonical SMILES for (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine is CCN/C=C/C(F)(F)F.
What is the InChIKey of (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine?
The InChIKey is CEGKBFGSYVBYBW-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8F3N/c1-2-9-4-3-5(6,7)8/h3-4,9H,2H2,1H3/b4-3+.
What are the key properties of (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine?
(E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine has a molecular weight of 139.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3,3,3-trifluoroprop-1-en-1-amine is sourced from PubChem (CID 14066876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).