1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine

C27H26ClF2NO — CID 22752873

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C(CCCN2CC=C(Oc3cccc(Cl)c3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H26ClF2NO/c28-22-3-1-4-26(19-22)32-25-14-17-31(18-15-25)16-2-5-27(20-6-10-23(29)11-7-20)21-8-12-24(30)13-9-21/h1,3-4,6-14,19,27H,2,5,15-18H2
InChIKeyUQKJCLZKRJHRBD-UHFFFAOYSA-N
MW453.96 g/mol
LogP7.20
Rot. Bonds8

About 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine

1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine (PubChem CID 22752873) has the molecular formula C27H26ClF2NO and a molecular weight of 453.96 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine
PubChem CID22752873
Molecular FormulaC27H26ClF2NO
Molecular Weight453.96 g/mol
Exact Mass453.17
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C(CCCN2CC=C(Oc3cccc(Cl)c3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H26ClF2NO/c28-22-3-1-4-26(19-22)32-25-14-17-31(18-15-25)16-2-5-27(20-6-10-23(29)11-7-20)21-8-12-24(30)13-9-21/h1,3-4,6-14,19,27H,2,5,15-18H2
InChIKeyUQKJCLZKRJHRBD-UHFFFAOYSA-N
XLogP7.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.96
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine
CID 22752871
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine
CID 91380197
1-[4,4-bis(4-fluorophenyl)butyl]-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
CID 22757218
4-(benzenesulfonyl)-1-[4,4-bis(4-fluorophenyl)butyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 22757224
4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline
CID 12763891
2,3-dihydroxybutanedioic acid;4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline
CID 70531043
3-[1-[4,4-bis(4-fluorophenyl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
CID 76966521
(E)-2-[1-(4-fluorophenyl)-1-oxo-4-(4-phenoxy-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]but-2-enedioic acid
CID 70595167
5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepane;dihydrochloride
CID 21277222
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 3072736
oxalic acid;N-phenyl-N-[3-[4-[3-(trifluoromethyl)phenoxy]-3,6-dihydro-2H-pyridin-1-yl]propyl]aniline
CID 86738025
(E)-2-[4-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)-1-oxobutan-2-yl]but-2-enedioic acid
CID 70595460

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine (CID 22752873) is 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine is Fc1ccc(C(CCCN2CC=C(Oc3cccc(Cl)c3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine?
The InChIKey is UQKJCLZKRJHRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2NO/c28-22-3-1-4-26(19-22)32-25-14-17-31(18-15-25)16-2-5-27(20-6-10-23(29)11-7-20)21-8-12-24(30)13-9-21/h1,3-4,6-14,19,27H,2,5,15-18H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine?
1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine has a molecular weight of 453.96 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 22752873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).