2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine

C22H19F4NO2 — CID 134222307

IUPAC2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(OCF)c(F)c3)cc2)nc1
InChIInChI=1S/C22H19F4NO2/c1-2-3-15-4-10-20(27-13-15)16-5-7-17(8-6-16)22(25,26)29-18-9-11-21(28-14-23)19(24)12-18/h4-13H,2-3,14H2,1H3
InChIKeyTZLCRGLPOAKZMV-UHFFFAOYSA-N
MW405.39 g/mol
LogP6.27
Rot. Bonds8

About 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine

2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine (PubChem CID 134222307) has the molecular formula C22H19F4NO2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine.

Molecular Properties

Compound Name2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine
PubChem CID134222307
Molecular FormulaC22H19F4NO2
Molecular Weight405.39 g/mol
Exact Mass405.14
IUPAC Name2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(OCF)c(F)c3)cc2)nc1
InChIInChI=1S/C22H19F4NO2/c1-2-3-15-4-10-20(27-13-15)16-5-7-17(8-6-16)22(25,26)29-18-9-11-21(28-14-23)19(24)12-18/h4-13H,2-3,14H2,1H3
InChIKeyTZLCRGLPOAKZMV-UHFFFAOYSA-N
XLogP6.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.39
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine?
The IUPAC name of 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine (CID 134222307) is 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine.
What is the SMILES notation for 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine?
The canonical SMILES for 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine is CCCc1ccc(-c2ccc(C(F)(F)Oc3ccc(OCF)c(F)c3)cc2)nc1.
What is the InChIKey of 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine?
The InChIKey is TZLCRGLPOAKZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4NO2/c1-2-3-15-4-10-20(27-13-15)16-5-7-17(8-6-16)22(25,26)29-18-9-11-21(28-14-23)19(24)12-18/h4-13H,2-3,14H2,1H3.
What are the key properties of 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine?
2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine has a molecular weight of 405.39 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]phenyl]-5-propylpyridine is sourced from PubChem (CID 134222307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).