(E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine

C10H15F3N2 — CID 114490000

IUPAC(E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine
SMILESNC/C=C/CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)9-3-7-15(8-4-9)6-2-1-5-14/h1-3H,4-8,14H2/b2-1+
InChIKeyZOFLMVFLDUBIRW-OWOJBTEDSA-N
MW220.24 g/mol
LogP1.70
Rot. Bonds3

About (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine

(E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine (PubChem CID 114490000) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine
PubChem CID114490000
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name(E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine
SMILESNC/C=C/CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)9-3-7-15(8-4-9)6-2-1-5-14/h1-3H,4-8,14H2/b2-1+
InChIKeyZOFLMVFLDUBIRW-OWOJBTEDSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine?
The IUPAC name of (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine (CID 114490000) is (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine.
What is the SMILES notation for (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine?
The canonical SMILES for (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine is NC/C=C/CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine?
The InChIKey is ZOFLMVFLDUBIRW-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H15F3N2/c11-10(12,13)9-3-7-15(8-4-9)6-2-1-5-14/h1-3H,4-8,14H2/b2-1+.
What are the key properties of (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine?
(E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine has a molecular weight of 220.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]but-2-en-1-amine is sourced from PubChem (CID 114490000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).