4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine

C20H28FN — CID 155419681

IUPAC4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine
SMILESCC1C(/C=C\CF)=NC=CC1(C)C1CCC(=C2CCC2)CC1
InChIInChI=1S/C20H28FN/c1-15-19(7-4-13-21)22-14-12-20(15,2)18-10-8-17(9-11-18)16-5-3-6-16/h4,7,12,14-15,18H,3,5-6,8-11,13H2,1-2H3/b7-4-
InChIKeyDUPVYPWFNPGIOB-DAXSKMNVSA-N
MW301.45 g/mol
LogP5.79
Rot. Bonds3

About 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine

4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine (PubChem CID 155419681) has the molecular formula C20H28FN and a molecular weight of 301.45 g/mol. Its IUPAC name is 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine.

Molecular Properties

Compound Name4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine
PubChem CID155419681
Molecular FormulaC20H28FN
Molecular Weight301.45 g/mol
Exact Mass301.22
IUPAC Name4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine
SMILESCC1C(/C=C\CF)=NC=CC1(C)C1CCC(=C2CCC2)CC1
InChIInChI=1S/C20H28FN/c1-15-19(7-4-13-21)22-14-12-20(15,2)18-10-8-17(9-11-18)16-5-3-6-16/h4,7,12,14-15,18H,3,5-6,8-11,13H2,1-2H3/b7-4-
InChIKeyDUPVYPWFNPGIOB-DAXSKMNVSA-N
XLogP5.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.45
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine?
The IUPAC name of 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine (CID 155419681) is 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine.
What is the SMILES notation for 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine?
The canonical SMILES for 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine is CC1C(/C=C\CF)=NC=CC1(C)C1CCC(=C2CCC2)CC1.
What is the InChIKey of 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine?
The InChIKey is DUPVYPWFNPGIOB-DAXSKMNVSA-N. The full InChI is InChI=1S/C20H28FN/c1-15-19(7-4-13-21)22-14-12-20(15,2)18-10-8-17(9-11-18)16-5-3-6-16/h4,7,12,14-15,18H,3,5-6,8-11,13H2,1-2H3/b7-4-.
What are the key properties of 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine?
4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine has a molecular weight of 301.45 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylidenecyclohexyl)-2-[(Z)-3-fluoroprop-1-enyl]-3,4-dimethyl-3H-pyridine is sourced from PubChem (CID 155419681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).