1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine

C9H9F3N2 — CID 155236683

IUPAC1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=c1\ccc(C(F)(F)F)cn1CC=C
InChIInChI=1S/C9H9F3N2/c1-2-5-14-6-7(9(10,11)12)3-4-8(14)13/h2-4,6,13H,1,5H2/b13-8+
InChIKeyQBQPVQOTYOFREI-MDWZMJQESA-N
MW202.18 g/mol
LogP2.17
Rot. Bonds2

About 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine

1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine (PubChem CID 155236683) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Name1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine
PubChem CID155236683
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=c1\ccc(C(F)(F)F)cn1CC=C
InChIInChI=1S/C9H9F3N2/c1-2-5-14-6-7(9(10,11)12)3-4-8(14)13/h2-4,6,13H,1,5H2/b13-8+
InChIKeyQBQPVQOTYOFREI-MDWZMJQESA-N
XLogP2.17
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.17
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 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine (CID 155236683) is 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine is [H]/N=c1\ccc(C(F)(F)F)cn1CC=C.
What is the InChIKey of 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine?
The InChIKey is QBQPVQOTYOFREI-MDWZMJQESA-N. The full InChI is InChI=1S/C9H9F3N2/c1-2-5-14-6-7(9(10,11)12)3-4-8(14)13/h2-4,6,13H,1,5H2/b13-8+.
What are the key properties of 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine?
1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine has a molecular weight of 202.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-5-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 155236683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).