2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine

C29H23F4NO — CID 123713603

IUPAC2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC=CC(F)F)c(F)c4)cc3)cc2)nc1
InChIInChI=1S/C29H23F4NO/c1-2-3-19-4-13-27(34-18-19)23-11-9-21(10-12-23)20-5-7-22(8-6-20)24-16-25(30)29(26(31)17-24)35-15-14-28(32)33/h4-18,28H,2-3H2,1H3
InChIKeyCDMBEFNONDZPCJ-UHFFFAOYSA-N
MW477.50 g/mol
LogP8.47
Rot. Bonds8

About 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine

2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine (PubChem CID 123713603) has the molecular formula C29H23F4NO and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine.

Molecular Properties

Compound Name2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine
PubChem CID123713603
Molecular FormulaC29H23F4NO
Molecular Weight477.50 g/mol
Exact Mass477.17
IUPAC Name2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC=CC(F)F)c(F)c4)cc3)cc2)nc1
InChIInChI=1S/C29H23F4NO/c1-2-3-19-4-13-27(34-18-19)23-11-9-21(10-12-23)20-5-7-22(8-6-20)24-16-25(30)29(26(31)17-24)35-15-14-28(32)33/h4-18,28H,2-3H2,1H3
InChIKeyCDMBEFNONDZPCJ-UHFFFAOYSA-N
XLogP8.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine
CID 123829749
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]benzene
CID 123728436
2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine
CID 58383763
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene
CID 123570903
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene
CID 123803094
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]ethynyl]benzene
CID 123963694
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl] 4-propylbenzoate
CID 123772310
[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl] 2-fluoro-4-(2-fluoro-4-propylphenyl)benzoate
CID 123692276
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine?
The IUPAC name of 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine (CID 123713603) is 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine.
What is the SMILES notation for 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine?
The canonical SMILES for 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine is CCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(OC=CC(F)F)c(F)c4)cc3)cc2)nc1.
What is the InChIKey of 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine?
The InChIKey is CDMBEFNONDZPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F4NO/c1-2-3-19-4-13-27(34-18-19)23-11-9-21(10-12-23)20-5-7-22(8-6-20)24-16-25(30)29(26(31)17-24)35-15-14-28(32)33/h4-18,28H,2-3H2,1H3.
What are the key properties of 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine?
2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine has a molecular weight of 477.50 g/mol, XLogP of 8.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine is sourced from PubChem (CID 123713603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).