4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine

C16H23F2N — CID 71096378

IUPAC4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine
SMILESCC1C(C(C)(C)C)=CC=NC1C1CCC(F)C=C1F
InChIInChI=1S/C16H23F2N/c1-10-13(16(2,3)4)7-8-19-15(10)12-6-5-11(17)9-14(12)18/h7-12,15H,5-6H2,1-4H3
InChIKeyVQNKOSSWLITHQE-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.65
Rot. Bonds1

About 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine

4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine (PubChem CID 71096378) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine
PubChem CID71096378
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine
SMILESCC1C(C(C)(C)C)=CC=NC1C1CCC(F)C=C1F
InChIInChI=1S/C16H23F2N/c1-10-13(16(2,3)4)7-8-19-15(10)12-6-5-11(17)9-14(12)18/h7-12,15H,5-6H2,1-4H3
InChIKeyVQNKOSSWLITHQE-UHFFFAOYSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine?
The IUPAC name of 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine (CID 71096378) is 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine is CC1C(C(C)(C)C)=CC=NC1C1CCC(F)C=C1F.
What is the InChIKey of 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine?
The InChIKey is VQNKOSSWLITHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-10-13(16(2,3)4)7-8-19-15(10)12-6-5-11(17)9-14(12)18/h7-12,15H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine?
4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine has a molecular weight of 267.36 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 71096378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).