4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile

C11H11F3N2O — CID 162586380

IUPAC4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile
SMILESC=CCOC(C1=CC(C#N)NC=C1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-2-5-17-10(11(12,13)14)8-3-4-16-9(6-8)7-15/h2-4,6,9-10,16H,1,5H2
InChIKeyJRAZQOZBCUOKCP-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.06
Rot. Bonds4

About 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile

4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile (PubChem CID 162586380) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile
PubChem CID162586380
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile
SMILESC=CCOC(C1=CC(C#N)NC=C1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-2-5-17-10(11(12,13)14)8-3-4-16-9(6-8)7-15/h2-4,6,9-10,16H,1,5H2
InChIKeyJRAZQOZBCUOKCP-UHFFFAOYSA-N
XLogP2.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1,1-Trifluoropropan-2-yloxy)-1,2-dihydropyridine-2-carbonitrile
CID 143808999
(2S)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyridine-2-carbonitrile
CID 173468425
4-(2,2,2-Trifluoro-1-hydroxyethyl)-1,2-dihydropyridine-2-carbonitrile
CID 143808998
4-(2,2,2-Trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile
CID 153146344
4-(2,2,2-Trifluoro-1-methoxyethyl)-1,2-dihydropyridine-2-carbonitrile
CID 162557062

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile?
The IUPAC name of 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile (CID 162586380) is 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile?
The canonical SMILES for 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile is C=CCOC(C1=CC(C#N)NC=C1)C(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile?
The InChIKey is JRAZQOZBCUOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-2-5-17-10(11(12,13)14)8-3-4-16-9(6-8)7-15/h2-4,6,9-10,16H,1,5H2.
What are the key properties of 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile?
4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile has a molecular weight of 244.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-prop-2-enoxyethyl)-1,2-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 162586380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).