4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine

C22H19F4NO2 — CID 59810060

IUPAC4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine
SMILESCc1cc(CC(c2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccn1
InChIInChI=1S/C22H19F4NO2/c1-14-11-15(9-10-27-14)12-18(16-5-3-2-4-6-16)17-7-8-19(28-21(23)24)20(13-17)29-22(25)26/h2-11,13,18,21-22H,12H2,1H3
InChIKeyMDOISKQMRVAUDL-UHFFFAOYSA-N
MW405.39 g/mol
LogP5.97
Rot. Bonds8

About 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine

4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine (PubChem CID 59810060) has the molecular formula C22H19F4NO2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine
PubChem CID59810060
Molecular FormulaC22H19F4NO2
Molecular Weight405.39 g/mol
Exact Mass405.14
IUPAC Name4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine
SMILESCc1cc(CC(c2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccn1
InChIInChI=1S/C22H19F4NO2/c1-14-11-15(9-10-27-14)12-18(16-5-3-2-4-6-16)17-7-8-19(28-21(23)24)20(13-17)29-22(25)26/h2-11,13,18,21-22H,12H2,1H3
InChIKeyMDOISKQMRVAUDL-UHFFFAOYSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine?
The IUPAC name of 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine (CID 59810060) is 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine.
What is the SMILES notation for 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine?
The canonical SMILES for 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine is Cc1cc(CC(c2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccn1.
What is the InChIKey of 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine?
The InChIKey is MDOISKQMRVAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4NO2/c1-14-11-15(9-10-27-14)12-18(16-5-3-2-4-6-16)17-7-8-19(28-21(23)24)20(13-17)29-22(25)26/h2-11,13,18,21-22H,12H2,1H3.
What are the key properties of 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine?
4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine has a molecular weight of 405.39 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,4-bis(difluoromethoxy)phenyl]-2-phenylethyl]-2-methylpyridine is sourced from PubChem (CID 59810060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).