ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate

C19H20F3NO2 — CID 163236001

IUPACethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate
SMILESC=CC1=C(C=C)N(c2ccc(C(F)(F)F)cc2)CC(C(=O)OCC)C1
InChIInChI=1S/C19H20F3NO2/c1-4-13-11-14(18(24)25-6-3)12-23(17(13)5-2)16-9-7-15(8-10-16)19(20,21)22/h4-5,7-10,14H,1-2,6,11-12H2,3H3
InChIKeyHOPAHDHKYFZYPW-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.72
Rot. Bonds5

About ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate

ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate (PubChem CID 163236001) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate
PubChem CID163236001
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Nameethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate
SMILESC=CC1=C(C=C)N(c2ccc(C(F)(F)F)cc2)CC(C(=O)OCC)C1
InChIInChI=1S/C19H20F3NO2/c1-4-13-11-14(18(24)25-6-3)12-23(17(13)5-2)16-9-7-15(8-10-16)19(20,21)22/h4-5,7-10,14H,1-2,6,11-12H2,3H3
InChIKeyHOPAHDHKYFZYPW-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate (CID 163236001) is ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate is C=CC1=C(C=C)N(c2ccc(C(F)(F)F)cc2)CC(C(=O)OCC)C1.
What is the InChIKey of ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate?
The InChIKey is HOPAHDHKYFZYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-4-13-11-14(18(24)25-6-3)12-23(17(13)5-2)16-9-7-15(8-10-16)19(20,21)22/h4-5,7-10,14H,1-2,6,11-12H2,3H3.
What are the key properties of ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate?
ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate has a molecular weight of 351.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-bis(ethenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridine-3-carboxylate is sourced from PubChem (CID 163236001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).