4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine

C16H16FNO — CID 3769628

IUPAC4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2=CCN(Cc3ccoc3)CC2)cc1
InChIInChI=1S/C16H16FNO/c17-16-3-1-14(2-4-16)15-5-8-18(9-6-15)11-13-7-10-19-12-13/h1-5,7,10,12H,6,8-9,11H2
InChIKeyCUMHWUMJEJKNMH-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.71
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine

4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 3769628) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID3769628
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C2=CCN(Cc3ccoc3)CC2)cc1
InChIInChI=1S/C16H16FNO/c17-16-3-1-14(2-4-16)15-5-8-18(9-6-15)11-13-7-10-19-12-13/h1-5,7,10,12H,6,8-9,11H2
InChIKeyCUMHWUMJEJKNMH-UHFFFAOYSA-N
XLogP3.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine (CID 3769628) is 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine is Fc1ccc(C2=CCN(Cc3ccoc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is CUMHWUMJEJKNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-16-3-1-14(2-4-16)15-5-8-18(9-6-15)11-13-7-10-19-12-13/h1-5,7,10,12H,6,8-9,11H2.
What are the key properties of 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine?
4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 257.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3769628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).