2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine

C12H13F2N — CID 71069156

IUPAC2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine
SMILESCC1C=CN=C(C2=CC=C(F)CC2F)C1
InChIInChI=1S/C12H13F2N/c1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14/h2-5,8,11H,6-7H2,1H3
InChIKeyPNMMRWMQNKOTQB-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.50
Rot. Bonds1

About 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine

2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine (PubChem CID 71069156) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine
PubChem CID71069156
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine
SMILESCC1C=CN=C(C2=CC=C(F)CC2F)C1
InChIInChI=1S/C12H13F2N/c1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14/h2-5,8,11H,6-7H2,1H3
InChIKeyPNMMRWMQNKOTQB-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine?
The IUPAC name of 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine (CID 71069156) is 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine is CC1C=CN=C(C2=CC=C(F)CC2F)C1.
What is the InChIKey of 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine?
The InChIKey is PNMMRWMQNKOTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine?
2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine has a molecular weight of 209.24 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine is sourced from PubChem (CID 71069156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).