2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine

C14H14F3NO — CID 158225559

IUPAC2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine
SMILESC=C1CCC=C(c2ccc(OCC(F)(F)F)cc2)N1
InChIInChI=1S/C14H14F3NO/c1-10-3-2-4-13(18-10)11-5-7-12(8-6-11)19-9-14(15,16)17/h4-8,18H,1-3,9H2
InChIKeyUFKJIBGYMLCBFH-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.87
Rot. Bonds3

About 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine

2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine (PubChem CID 158225559) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine
PubChem CID158225559
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine
SMILESC=C1CCC=C(c2ccc(OCC(F)(F)F)cc2)N1
InChIInChI=1S/C14H14F3NO/c1-10-3-2-4-13(18-10)11-5-7-12(8-6-11)19-9-14(15,16)17/h4-8,18H,1-3,9H2
InChIKeyUFKJIBGYMLCBFH-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine?
The IUPAC name of 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine (CID 158225559) is 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine?
The canonical SMILES for 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine is C=C1CCC=C(c2ccc(OCC(F)(F)F)cc2)N1.
What is the InChIKey of 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine?
The InChIKey is UFKJIBGYMLCBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-10-3-2-4-13(18-10)11-5-7-12(8-6-11)19-9-14(15,16)17/h4-8,18H,1-3,9H2.
What are the key properties of 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine?
2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine has a molecular weight of 269.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-[4-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 158225559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).