(2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one

C15H11F2NO3 — CID 2312685

IUPAC(2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1N[C@H](c2ccccc2OC(F)F)Oc2ccccc21
InChIInChI=1S/C15H11F2NO3/c16-15(17)21-12-8-4-2-6-10(12)14-18-13(19)9-5-1-3-7-11(9)20-14/h1-8,14-15H,(H,18,19)/t14-/m0/s1
InChIKeyIBYHEMQITKVYNX-AWEZNQCLSA-N
MW291.25 g/mol
LogP3.11
Rot. Bonds3

About (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one

(2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 2312685) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name(2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID2312685
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name(2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1N[C@H](c2ccccc2OC(F)F)Oc2ccccc21
InChIInChI=1S/C15H11F2NO3/c16-15(17)21-12-8-4-2-6-10(12)14-18-13(19)9-5-1-3-7-11(9)20-14/h1-8,14-15H,(H,18,19)/t14-/m0/s1
InChIKeyIBYHEMQITKVYNX-AWEZNQCLSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 4859193
(2R)-2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2026752
(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 777109
2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 3239870
(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-difluoro-1,3-oxazinan-2-one
CID 171188521
(4R)-4-[2-(difluoromethoxy)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187151
2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 6489068
(2R)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2320255
(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 777827
(4S)-2-[2-(difluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949764
(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2470269
N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
CID 853671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one (CID 2312685) is (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one is O=C1N[C@H](c2ccccc2OC(F)F)Oc2ccccc21.
What is the InChIKey of (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is IBYHEMQITKVYNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-15(17)21-12-8-4-2-6-10(12)14-18-13(19)9-5-1-3-7-11(9)20-14/h1-8,14-15H,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one?
(2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 291.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 2312685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).