8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one

C10H10FNO2 — CID 12071376

IUPAC8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one
SMILESCC1(C)OC(=O)Nc2c(F)cccc21
InChIInChI=1S/C10H10FNO2/c1-10(2)6-4-3-5-7(11)8(6)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)
InChIKeyKGGCHFAUEBWYDP-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.62
Rot. Bonds

About 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one

8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one (PubChem CID 12071376) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one
PubChem CID12071376
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one
SMILESCC1(C)OC(=O)Nc2c(F)cccc21
InChIInChI=1S/C10H10FNO2/c1-10(2)6-4-3-5-7(11)8(6)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)
InChIKeyKGGCHFAUEBWYDP-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one?
The IUPAC name of 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one (CID 12071376) is 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one.
What is the SMILES notation for 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one?
The canonical SMILES for 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one is CC1(C)OC(=O)Nc2c(F)cccc21.
What is the InChIKey of 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one?
The InChIKey is KGGCHFAUEBWYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-10(2)6-4-3-5-7(11)8(6)12-9(13)14-10/h3-5H,1-2H3,(H,12,13).
What are the key properties of 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one?
8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one has a molecular weight of 195.19 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one is sourced from PubChem (CID 12071376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).