tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate

C16H23F2NO2 — CID 164752483

IUPACtert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1C1=CCC(F)(F)CC1
InChIInChI=1S/C16H23F2NO2/c1-15(2,3)21-14(20)19-11-5-4-6-13(19)12-7-9-16(17,18)10-8-12/h6-7H,4-5,8-11H2,1-3H3
InChIKeyYUPRZDJUDQNUGC-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.65
Rot. Bonds1

About tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 164752483) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID164752483
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Nametert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC=C1C1=CCC(F)(F)CC1
InChIInChI=1S/C16H23F2NO2/c1-15(2,3)21-14(20)19-11-5-4-6-13(19)12-7-9-16(17,18)10-8-12/h6-7H,4-5,8-11H2,1-3H3
InChIKeyYUPRZDJUDQNUGC-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 164752483) is tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC=C1C1=CCC(F)(F)CC1.
What is the InChIKey of tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YUPRZDJUDQNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-15(2,3)21-14(20)19-11-5-4-6-13(19)12-7-9-16(17,18)10-8-12/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(4,4-difluorocyclohexen-1-yl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 164752483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).