6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine

C20H21F2NO2 — CID 67918482

IUPAC6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine
SMILESCCC1(COCc2c(F)cccc2F)CCC(c2ccccc2)=NO1
InChIInChI=1S/C20H21F2NO2/c1-2-20(14-24-13-16-17(21)9-6-10-18(16)22)12-11-19(23-25-20)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3
InChIKeyLNKNNWHQFWYLIJ-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.84
Rot. Bonds6

About 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine

6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine (PubChem CID 67918482) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine.

Molecular Properties

Compound Name6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine
PubChem CID67918482
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine
SMILESCCC1(COCc2c(F)cccc2F)CCC(c2ccccc2)=NO1
InChIInChI=1S/C20H21F2NO2/c1-2-20(14-24-13-16-17(21)9-6-10-18(16)22)12-11-19(23-25-20)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3
InChIKeyLNKNNWHQFWYLIJ-UHFFFAOYSA-N
XLogP4.84
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine?
The IUPAC name of 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine (CID 67918482) is 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine.
What is the SMILES notation for 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine?
The canonical SMILES for 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine is CCC1(COCc2c(F)cccc2F)CCC(c2ccccc2)=NO1.
What is the InChIKey of 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine?
The InChIKey is LNKNNWHQFWYLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-2-20(14-24-13-16-17(21)9-6-10-18(16)22)12-11-19(23-25-20)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3.
What are the key properties of 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine?
6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine has a molecular weight of 345.39 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine is sourced from PubChem (CID 67918482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).