2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one

C14H9F2NO2 — CID 4859193

IUPAC2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2cc(F)ccc2F)Oc2ccccc21
InChIInChI=1S/C14H9F2NO2/c15-8-5-6-11(16)10(7-8)14-17-13(18)9-3-1-2-4-12(9)19-14/h1-7,14H,(H,17,18)
InChIKeyRYVFGICDMNZOPT-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.79
Rot. Bonds1

About 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one

2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 4859193) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID4859193
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NC(c2cc(F)ccc2F)Oc2ccccc21
InChIInChI=1S/C14H9F2NO2/c15-8-5-6-11(16)10(7-8)14-17-13(18)9-3-1-2-4-12(9)19-14/h1-7,14H,(H,17,18)
InChIKeyRYVFGICDMNZOPT-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2026752
(2S)-2-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
CID 2312685
(2R)-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 777109
2-naphthalen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 6489068
(2R)-2-(4-ethylphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 777827
2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 3239870
(2R)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2320255
N-[4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl]acetamide
CID 853671
2-(1-acetyl-3-phenylpyrazol-4-yl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 4889775
(2R)-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2470269
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
6-bromo-2-(2,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114674291

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one (CID 4859193) is 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one is O=C1NC(c2cc(F)ccc2F)Oc2ccccc21.
What is the InChIKey of 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is RYVFGICDMNZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2/c15-8-5-6-11(16)10(7-8)14-17-13(18)9-3-1-2-4-12(9)19-14/h1-7,14H,(H,17,18).
What are the key properties of 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one?
2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 261.23 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 4859193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).