tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C18H22FNO2 — CID 135034792

IUPACtert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=C(C1=CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1
InChIInChI=1S/C18H22FNO2/c1-13(15-6-5-7-16(19)12-15)14-8-10-20(11-9-14)17(21)22-18(2,3)4/h5-8,12H,1,9-11H2,2-4H3
InChIKeyYVZDVJNLYUQMQQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.41
Rot. Bonds2

About tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 135034792) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID135034792
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Nametert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=C(C1=CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1
InChIInChI=1S/C18H22FNO2/c1-13(15-6-5-7-16(19)12-15)14-8-10-20(11-9-14)17(21)22-18(2,3)4/h5-8,12H,1,9-11H2,2-4H3
InChIKeyYVZDVJNLYUQMQQ-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 135034792) is tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is C=C(C1=CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1.
What is the InChIKey of tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YVZDVJNLYUQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-13(15-6-5-7-16(19)12-15)14-8-10-20(11-9-14)17(21)22-18(2,3)4/h5-8,12H,1,9-11H2,2-4H3.
What are the key properties of tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(3-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 135034792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).