(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one

C9H7F2NO2 — CID 94975892

IUPAC(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one
SMILESC[C@H]1Oc2c(F)cc(F)cc2NC1=O
InChIInChI=1S/C9H7F2NO2/c1-4-9(13)12-7-3-5(10)2-6(11)8(7)14-4/h2-4H,1H3,(H,12,13)/t4-/m1/s1
InChIKeyWYIJQRKXTODEEC-SCSAIBSYSA-N
MW199.16 g/mol
LogP1.68
Rot. Bonds

About (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one

(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 94975892) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID94975892
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one
SMILESC[C@H]1Oc2c(F)cc(F)cc2NC1=O
InChIInChI=1S/C9H7F2NO2/c1-4-9(13)12-7-3-5(10)2-6(11)8(7)14-4/h2-4H,1H3,(H,12,13)/t4-/m1/s1
InChIKeyWYIJQRKXTODEEC-SCSAIBSYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
CID 87121614
(2R)-8-fluoro-2-methyl-6-pyridin-3-yl-4H-1,4-benzoxazin-3-one
CID 134497211
1,4-dioxane;(2R)-8-fluoro-2-methyl-6-(3-methylsulfanylphenyl)-4H-1,4-benzoxazin-3-one
CID 162141738
6-bromo-7,8-dichloro-2-methyl-4H-1,4-benzoxazin-3-one
CID 82234325
acetyl acetate;(2R)-6-(1-acetylpyrrolidin-3-yl)-8-fluoro-2-methyl-4H-1,4-benzoxazin-3-one
CID 161345359
2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride
CID 82372083
8-hydroxy-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
CID 86664225
tert-butyl 3-[(2R)-8-fluoro-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyrrolidine-1-carboxylate
CID 140870951
(2R)-6-chloro-2-methyl-8-nitro-4H-1,4-benzoxazin-3-one
CID 11701494
2-methyl-6-methylsulfanyl-4H-1,4-benzoxazin-3-one
CID 82355440
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
7-bromo-9-fluoro-3-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82233598

Frequently Asked Questions

What is the IUPAC name of (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one (CID 94975892) is (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one is C[C@H]1Oc2c(F)cc(F)cc2NC1=O.
What is the InChIKey of (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is WYIJQRKXTODEEC-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c1-4-9(13)12-7-3-5(10)2-6(11)8(7)14-4/h2-4H,1H3,(H,12,13)/t4-/m1/s1.
What are the key properties of (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one?
(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 199.16 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 94975892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).