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4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine

C19H20F2N2O2 — CID 171619551

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine
SMILESCOc1ccc2c(c1C)OC(C)(C)N=C2c1cnc(C(F)F)c(C)c1
InChIInChI=1S/C19H20F2N2O2/c1-10-8-12(9-22-15(10)18(20)21)16-13-6-7-14(24-5)11(2)17(13)25-19(3,4)23-16/h6-9,18H,1-5H3
InChIKeyZZPUXWNDEGERKV-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.61
Rot. Bonds3

About 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine

4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine (PubChem CID 171619551) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine.

Molecular Properties

Compound Name4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine
PubChem CID171619551
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine
SMILESCOc1ccc2c(c1C)OC(C)(C)N=C2c1cnc(C(F)F)c(C)c1
InChIInChI=1S/C19H20F2N2O2/c1-10-8-12(9-22-15(10)18(20)21)16-13-6-7-14(24-5)11(2)17(13)25-19(3,4)23-16/h6-9,18H,1-5H3
InChIKeyZZPUXWNDEGERKV-UHFFFAOYSA-N
XLogP4.61
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine?
The IUPAC name of 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine (CID 171619551) is 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine.
What is the SMILES notation for 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine?
The canonical SMILES for 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine is COc1ccc2c(c1C)OC(C)(C)N=C2c1cnc(C(F)F)c(C)c1.
What is the InChIKey of 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine?
The InChIKey is ZZPUXWNDEGERKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-10-8-12(9-22-15(10)18(20)21)16-13-6-7-14(24-5)11(2)17(13)25-19(3,4)23-16/h6-9,18H,1-5H3.
What are the key properties of 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine?
4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine has a molecular weight of 346.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(difluoromethyl)-5-methyl-3-pyridinyl]-7-methoxy-2,2,8-trimethyl-1,3-benzoxazine is sourced from PubChem (CID 171619551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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