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

C27H26ClF2NO — CID 22752871

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C(CCCN2CC=C(Oc3ccccc3Cl)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H26ClF2NO/c28-26-5-1-2-6-27(26)32-24-15-18-31(19-16-24)17-3-4-25(20-7-11-22(29)12-8-20)21-9-13-23(30)14-10-21/h1-2,5-15,25H,3-4,16-19H2
InChIKeyWCVJKECOKMQFDX-UHFFFAOYSA-N
MW453.96 g/mol
LogP7.20
Rot. Bonds8

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

1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine (PubChem CID 22752871) 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-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine
PubChem CID22752871
Molecular FormulaC27H26ClF2NO
Molecular Weight453.96 g/mol
Exact Mass453.17
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(C(CCCN2CC=C(Oc3ccccc3Cl)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H26ClF2NO/c28-26-5-1-2-6-27(26)32-24-15-18-31(19-16-24)17-3-4-25(20-7-11-22(29)12-8-20)21-9-13-23(30)14-10-21/h1-2,5-15,25H,3-4,16-19H2
InChIKeyWCVJKECOKMQFDX-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-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine
CID 22752873
1-[4,4-bis(4-fluorophenyl)butyl]-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
CID 22757218
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine
CID 91380197
4-(benzenesulfonyl)-1-[4,4-bis(4-fluorophenyl)butyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 22757224
3-[1-[4,4-bis(4-fluorophenyl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
CID 76966521
5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepane;dihydrochloride
CID 21277222
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
(2R)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 3072712
(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
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
CID 25164681
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine (CID 22752871) is 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine is Fc1ccc(C(CCCN2CC=C(Oc3ccccc3Cl)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine?
The InChIKey is WCVJKECOKMQFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2NO/c28-26-5-1-2-6-27(26)32-24-15-18-31(19-16-24)17-3-4-25(20-7-11-22(29)12-8-20)21-9-13-23(30)14-10-21/h1-2,5-15,25H,3-4,16-19H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine?
1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-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-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 22752871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).