1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine

C16H28FN — CID 172515516

IUPAC1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1CC(C2CC2)=C(F)CN1C(C)(C)C
InChIInChI=1S/C16H28FN/c1-15(2,3)14-9-12(11-7-8-11)13(17)10-18(14)16(4,5)6/h11,14H,7-10H2,1-6H3
InChIKeyGRRKWVSWBFICAJ-UHFFFAOYSA-N
MW253.40 g/mol
LogP4.54
Rot. Bonds1

About 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine

1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 172515516) has the molecular formula C16H28FN and a molecular weight of 253.40 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID172515516
Molecular FormulaC16H28FN
Molecular Weight253.40 g/mol
Exact Mass253.22
IUPAC Name1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1CC(C2CC2)=C(F)CN1C(C)(C)C
InChIInChI=1S/C16H28FN/c1-15(2,3)14-9-12(11-7-8-11)13(17)10-18(14)16(4,5)6/h11,14H,7-10H2,1-6H3
InChIKeyGRRKWVSWBFICAJ-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine (CID 172515516) is 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine is CC(C)(C)C1CC(C2CC2)=C(F)CN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is GRRKWVSWBFICAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN/c1-15(2,3)14-9-12(11-7-8-11)13(17)10-18(14)16(4,5)6/h11,14H,7-10H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine?
1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 253.40 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-cyclopropyl-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 172515516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).