2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine

C21H18F3NO — CID 134222323

IUPAC2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)nc1
InChIInChI=1S/C21H18F3NO/c1-2-3-14-4-9-20(25-12-14)16-7-5-15(6-8-16)17-10-18(23)21(26-13-22)19(24)11-17/h4-12H,2-3,13H2,1H3
InChIKeyLRGZKGQNNDGXLG-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.95
Rot. Bonds6

About 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine

2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine (PubChem CID 134222323) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine.

Molecular Properties

Compound Name2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine
PubChem CID134222323
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)nc1
InChIInChI=1S/C21H18F3NO/c1-2-3-14-4-9-20(25-12-14)16-7-5-15(6-8-16)17-10-18(23)21(26-13-22)19(24)11-17/h4-12H,2-3,13H2,1H3
InChIKeyLRGZKGQNNDGXLG-UHFFFAOYSA-N
XLogP5.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine?
The IUPAC name of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine (CID 134222323) is 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine.
What is the SMILES notation for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine?
The canonical SMILES for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine is CCCc1ccc(-c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)nc1.
What is the InChIKey of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine?
The InChIKey is LRGZKGQNNDGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO/c1-2-3-14-4-9-20(25-12-14)16-7-5-15(6-8-16)17-10-18(23)21(26-13-22)19(24)11-17/h4-12H,2-3,13H2,1H3.
What are the key properties of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine?
2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine has a molecular weight of 357.38 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-propylpyridine is sourced from PubChem (CID 134222323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).