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

C25H23F4NO — CID 123829749

IUPAC2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(CCc3cc(F)c(OC=CC(F)F)c(F)c3)cc2)nc1
InChIInChI=1S/C25H23F4NO/c1-2-3-18-8-11-23(30-16-18)20-9-6-17(7-10-20)4-5-19-14-21(26)25(22(27)15-19)31-13-12-24(28)29/h6-16,24H,2-5H2,1H3
InChIKeyLPUXEPXKGQSOJN-UHFFFAOYSA-N
MW429.46 g/mol
LogP6.92
Rot. Bonds9

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

2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine (PubChem CID 123829749) has the molecular formula C25H23F4NO and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine.

Molecular Properties

Compound Name2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine
PubChem CID123829749
Molecular FormulaC25H23F4NO
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(CCc3cc(F)c(OC=CC(F)F)c(F)c3)cc2)nc1
InChIInChI=1S/C25H23F4NO/c1-2-3-18-8-11-23(30-16-18)20-9-6-17(7-10-20)4-5-19-14-21(26)25(22(27)15-19)31-13-12-24(28)29/h6-16,24H,2-5H2,1H3
InChIKeyLPUXEPXKGQSOJN-UHFFFAOYSA-N
XLogP6.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 56.92
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-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine
CID 123713603
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene
CID 123803094
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-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene
CID 123570903
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-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]ethynyl]benzene
CID 123963694
2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine
CID 58383763
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704
(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate
CID 54381935

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine?
The IUPAC name of 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine (CID 123829749) is 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine.
What is the SMILES notation for 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine?
The canonical SMILES for 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine is CCCc1ccc(-c2ccc(CCc3cc(F)c(OC=CC(F)F)c(F)c3)cc2)nc1.
What is the InChIKey of 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine?
The InChIKey is LPUXEPXKGQSOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4NO/c1-2-3-18-8-11-23(30-16-18)20-9-6-17(7-10-20)4-5-19-14-21(26)25(22(27)15-19)31-13-12-24(28)29/h6-16,24H,2-5H2,1H3.
What are the key properties of 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine?
2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine has a molecular weight of 429.46 g/mol, XLogP of 6.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine is sourced from PubChem (CID 123829749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).