5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine

C23H23F4N — CID 121476271

IUPAC5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCCCC1=CC=C(c2ccc(-c3ccc(CCC)cc3)cn2)C(F)(F)C1(F)F
InChIInChI=1S/C23H23F4N/c1-3-5-16-7-9-17(10-8-16)18-11-14-21(28-15-18)20-13-12-19(6-4-2)22(24,25)23(20,26)27/h7-15H,3-6H2,1-2H3
InChIKeyMNTGWRQAKNVGOV-UHFFFAOYSA-N
MW389.44 g/mol
LogP7.10
Rot. Bonds6

About 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine

5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine (PubChem CID 121476271) has the molecular formula C23H23F4N and a molecular weight of 389.44 g/mol. Its IUPAC name is 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine.

Molecular Properties

Compound Name5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine
PubChem CID121476271
Molecular FormulaC23H23F4N
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC Name5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine
SMILESCCCC1=CC=C(c2ccc(-c3ccc(CCC)cc3)cn2)C(F)(F)C1(F)F
InChIInChI=1S/C23H23F4N/c1-3-5-16-7-9-17(10-8-16)18-11-14-21(28-15-18)20-13-12-19(6-4-2)22(24,25)23(20,26)27/h7-15H,3-6H2,1-2H3
InChIKeyMNTGWRQAKNVGOV-UHFFFAOYSA-N
XLogP7.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine 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

5,5,6,6-tetrafluoro-1-propyl-4-[5,5,6,6-tetrafluoro-4-(4-propylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 121476289
2-fluoro-5-[4-(4-propylphenyl)phenyl]pyridine
CID 19765553
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
2,5-bis(4-octylphenyl)pyridine
CID 139839621
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
5-[4-(4-ethylphenyl)phenyl]-2-propylpyridine
CID 19859804
2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
CID 19858622
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
phenyl-[4-[6-(4-propylphenyl)-3-pyridinyl]phenyl]methanone
CID 59538560
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
CID 19859811

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine?
The IUPAC name of 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine (CID 121476271) is 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine.
What is the SMILES notation for 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine?
The canonical SMILES for 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine is CCCC1=CC=C(c2ccc(-c3ccc(CCC)cc3)cn2)C(F)(F)C1(F)F.
What is the InChIKey of 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine?
The InChIKey is MNTGWRQAKNVGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N/c1-3-5-16-7-9-17(10-8-16)18-11-14-21(28-15-18)20-13-12-19(6-4-2)22(24,25)23(20,26)27/h7-15H,3-6H2,1-2H3.
What are the key properties of 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine?
5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine has a molecular weight of 389.44 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenyl)-2-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)pyridine is sourced from PubChem (CID 121476271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).