4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine

C23H21F4NO — CID 141203482

IUPAC4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1CC(Cc2ccc(F)cc2F)=C(OCc2ccc(F)cc2F)C=C1C
InChIInChI=1S/C23H21F4NO/c1-3-8-28-13-18(10-16-4-6-19(24)11-21(16)26)23(9-15(28)2)29-14-17-5-7-20(25)12-22(17)27/h3-7,9,11-12H,1,8,10,13-14H2,2H3
InChIKeyMFALVDRPKPRNNC-UHFFFAOYSA-N
MW403.42 g/mol
LogP5.66
Rot. Bonds7

About 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine

4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine (PubChem CID 141203482) has the molecular formula C23H21F4NO and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine
PubChem CID141203482
Molecular FormulaC23H21F4NO
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1CC(Cc2ccc(F)cc2F)=C(OCc2ccc(F)cc2F)C=C1C
InChIInChI=1S/C23H21F4NO/c1-3-8-28-13-18(10-16-4-6-19(24)11-21(16)26)23(9-15(28)2)29-14-17-5-7-20(25)12-22(17)27/h3-7,9,11-12H,1,8,10,13-14H2,2H3
InChIKeyMFALVDRPKPRNNC-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-[(4-Fluorophenyl)(phenyl)methoxy]-1-methylpiperidine
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(1R,5S)-3-[2-[bis(4-fluorophenyl)methoxy]ethylidene]-8-methyl-8-azabicyclo[3.2.1]octane
CID 11003165
4-[(4-Fluorophenyl)methoxymethyl]-1-(3-phenylpropyl)piperidine;hydrochloride
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4-[Bis(4-fluorophenyl)methoxy]-1-propan-2-ylpiperidine
CID 86294716
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 122178642
3-[Bis(4-fluorophenyl)methoxy]-8-methyl-8-prop-2-enyl-8-azoniabicyclo[3.2.1]octane
CID 91034929
1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 9949431
1-[2-Bis(4-fluorophenyl)methoxyethyl]-4-methoxymethylidenepiperidine
CID 9999412
4-[(4-Fluorophenyl)methoxymethyl]-1-(2-phenylethyl)piperidine
CID 10381798
1-Cyclohexyl-4-[(2,4-difluorophenyl)methoxy]-3,6-dimethylpyridin-2-one
CID 11382435

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine (CID 141203482) is 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine is C=CCN1CC(Cc2ccc(F)cc2F)=C(OCc2ccc(F)cc2F)C=C1C.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine?
The InChIKey is MFALVDRPKPRNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4NO/c1-3-8-28-13-18(10-16-4-6-19(24)11-21(16)26)23(9-15(28)2)29-14-17-5-7-20(25)12-22(17)27/h3-7,9,11-12H,1,8,10,13-14H2,2H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine?
4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine has a molecular weight of 403.42 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-3-[(2,4-difluorophenyl)methyl]-6-methyl-1-prop-2-enyl-2H-pyridine is sourced from PubChem (CID 141203482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).