4-ethyl-6-fluoro-1,4-benzoxazin-3-one

C10H10FNO2 — CID 59525216

IUPAC4-ethyl-6-fluoro-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(F)cc21
InChIInChI=1S/C10H10FNO2/c1-2-12-8-5-7(11)3-4-9(8)14-6-10(12)13/h3-5H,2,6H2,1H3
InChIKeyBUOPWJMRPXJMME-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.57
Rot. Bonds1

About 4-ethyl-6-fluoro-1,4-benzoxazin-3-one

4-ethyl-6-fluoro-1,4-benzoxazin-3-one (PubChem CID 59525216) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 4-ethyl-6-fluoro-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-ethyl-6-fluoro-1,4-benzoxazin-3-one
PubChem CID59525216
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name4-ethyl-6-fluoro-1,4-benzoxazin-3-one
SMILESCCN1C(=O)COc2ccc(F)cc21
InChIInChI=1S/C10H10FNO2/c1-2-12-8-5-7(11)3-4-9(8)14-6-10(12)13/h3-5H,2,6H2,1H3
InChIKeyBUOPWJMRPXJMME-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26434581
6-(2-bromopropyl)-4-ethyl-1,4-benzoxazin-3-one
CID 82254891
4-(1,4-dioxan-2-ylmethyl)-6-fluoro-1,4-benzoxazin-3-one
CID 72938107
6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97206499
4-[3-(3-butylazetidin-1-yl)-2-methylpropyl]-6-fluoro-1,4-benzoxazin-3-one
CID 68913830
5-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)pentanal
CID 82255672
6-amino-4-[(2,4-difluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 62197648
7-fluoro-4-hexyl-1,4-benzoxazin-3-one
CID 53364243
4-ethyl-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 100830352
6-bromo-4-propyl-1,4-benzoxazin-3-one
CID 70699818
3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761480

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-fluoro-1,4-benzoxazin-3-one?
The IUPAC name of 4-ethyl-6-fluoro-1,4-benzoxazin-3-one (CID 59525216) is 4-ethyl-6-fluoro-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-ethyl-6-fluoro-1,4-benzoxazin-3-one?
The canonical SMILES for 4-ethyl-6-fluoro-1,4-benzoxazin-3-one is CCN1C(=O)COc2ccc(F)cc21.
What is the InChIKey of 4-ethyl-6-fluoro-1,4-benzoxazin-3-one?
The InChIKey is BUOPWJMRPXJMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-2-12-8-5-7(11)3-4-9(8)14-6-10(12)13/h3-5H,2,6H2,1H3.
What are the key properties of 4-ethyl-6-fluoro-1,4-benzoxazin-3-one?
4-ethyl-6-fluoro-1,4-benzoxazin-3-one has a molecular weight of 195.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-fluoro-1,4-benzoxazin-3-one is sourced from PubChem (CID 59525216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).