fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one

C10H12FNO2 — CID 143760014

IUPACfluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
SMILESCF.Cc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C9H9NO2.CH3F/c1-6-2-3-8-7(4-6)10-9(11)5-12-8;1-2/h2-4H,5H2,1H3,(H,10,11);1H3
InChIKeyCWPGNWYWAYDSDZ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.91
Rot. Bonds

About fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one

fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 143760014) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Namefluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
PubChem CID143760014
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Namefluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
SMILESCF.Cc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C9H9NO2.CH3F/c1-6-2-3-8-7(4-6)10-9(11)5-12-8;1-2/h2-4H,5H2,1H3,(H,10,11);1H3
InChIKeyCWPGNWYWAYDSDZ-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one
CID 115126225
6-[2-(3-methylphenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 68982207
6-(1,1-difluoroethyl)-4H-1,4-benzoxazin-3-one
CID 84679492
6-[amino-(2,5-dimethylphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 43342929
6-(3-methylbenzoyl)-4H-1,4-benzoxazin-3-one
CID 43161468
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
4-methyl-2-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethenyl]benzaldehyde
CID 76611328
6-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325
6-[bromo-(3-methylphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61098369

Frequently Asked Questions

What is the IUPAC name of fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one (CID 143760014) is fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one is CF.Cc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is CWPGNWYWAYDSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.CH3F/c1-6-2-3-8-7(4-6)10-9(11)5-12-8;1-2/h2-4H,5H2,1H3,(H,10,11);1H3.
What are the key properties of fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one?
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 197.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 143760014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).