4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine

C25H25F2N — CID 142809796

IUPAC4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCC(F)(F)c1cccc(C2=CCN(CCc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H25F2N/c1-25(26,27)23-10-5-9-22(18-23)19-12-15-28(16-13-19)17-14-21-8-4-7-20-6-2-3-11-24(20)21/h2-12,18H,13-17H2,1H3
InChIKeyBNKWJMKEVJVTML-UHFFFAOYSA-N
MW377.48 g/mol
LogP6.28
Rot. Bonds5

About 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine

4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 142809796) has the molecular formula C25H25F2N and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine
PubChem CID142809796
Molecular FormulaC25H25F2N
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine
SMILESCC(F)(F)c1cccc(C2=CCN(CCc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H25F2N/c1-25(26,27)23-10-5-9-22(18-23)19-12-15-28(16-13-19)17-14-21-8-4-7-20-6-2-3-11-24(20)21/h2-12,18H,13-17H2,1H3
InChIKeyBNKWJMKEVJVTML-UHFFFAOYSA-N
XLogP6.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine (CID 142809796) is 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine is CC(F)(F)c1cccc(C2=CCN(CCc3cccc4ccccc34)CC2)c1.
What is the InChIKey of 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BNKWJMKEVJVTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N/c1-25(26,27)23-10-5-9-22(18-23)19-12-15-28(16-13-19)17-14-21-8-4-7-20-6-2-3-11-24(20)21/h2-12,18H,13-17H2,1H3.
What are the key properties of 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine?
4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 377.48 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-difluoroethyl)phenyl]-1-(2-naphthalen-1-ylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142809796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).