6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine

C16H15F2NO — CID 142652577

IUPAC6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine
SMILESCC1(C)OCNc2ccc(-c3cc(F)cc(F)c3)cc21
InChIInChI=1S/C16H15F2NO/c1-16(2)14-7-10(3-4-15(14)19-9-20-16)11-5-12(17)8-13(18)6-11/h3-8,19H,9H2,1-2H3
InChIKeyNXKCKAFHTUBQIG-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.27
Rot. Bonds1

About 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine

6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine (PubChem CID 142652577) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine
PubChem CID142652577
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine
SMILESCC1(C)OCNc2ccc(-c3cc(F)cc(F)c3)cc21
InChIInChI=1S/C16H15F2NO/c1-16(2)14-7-10(3-4-15(14)19-9-20-16)11-5-12(17)8-13(18)6-11/h3-8,19H,9H2,1-2H3
InChIKeyNXKCKAFHTUBQIG-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine?
The IUPAC name of 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine (CID 142652577) is 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine.
What is the SMILES notation for 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine?
The canonical SMILES for 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine is CC1(C)OCNc2ccc(-c3cc(F)cc(F)c3)cc21.
What is the InChIKey of 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine?
The InChIKey is NXKCKAFHTUBQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-16(2)14-7-10(3-4-15(14)19-9-20-16)11-5-12(17)8-13(18)6-11/h3-8,19H,9H2,1-2H3.
What are the key properties of 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine?
6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine has a molecular weight of 275.30 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-4,4-dimethyl-1,2-dihydro-3,1-benzoxazine is sourced from PubChem (CID 142652577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).