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

C11H11F2N — CID 164766148

IUPAC2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine
SMILESFC1=CC(F)C(C2CC=CC=N2)C=C1
InChIInChI=1S/C11H11F2N/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11/h1-2,4-7,9-11H,3H2
InChIKeyNPDZDUOEXMWVCM-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.76
Rot. Bonds1

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

2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine (PubChem CID 164766148) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine
PubChem CID164766148
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine
SMILESFC1=CC(F)C(C2CC=CC=N2)C=C1
InChIInChI=1S/C11H11F2N/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11/h1-2,4-7,9-11H,3H2
InChIKeyNPDZDUOEXMWVCM-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
4-Methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 172628097
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
2-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
CID 71252705
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
2,3-Bis(prop-2-enyl)-2,3-dihydropyridine
CID 67802550
10a,10b-Dihydrobenzo[h]quinoline
CID 88858017

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine?
The IUPAC name of 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine (CID 164766148) is 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine.
What is the SMILES notation for 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine?
The canonical SMILES for 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine is FC1=CC(F)C(C2CC=CC=N2)C=C1.
What is the InChIKey of 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine?
The InChIKey is NPDZDUOEXMWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11/h1-2,4-7,9-11H,3H2.
What are the key properties of 2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine?
2-(4,6-difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine has a molecular weight of 195.21 g/mol, XLogP of 2.76, 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-2,4-dien-1-yl)-2,3-dihydropyridine is sourced from PubChem (CID 164766148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).