3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine

C10H12FNO — CID 84618499

IUPAC3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1COc2c(F)cccc2N1
InChIInChI=1S/C10H12FNO/c1-2-7-6-13-10-8(11)4-3-5-9(10)12-7/h3-5,7,12H,2,6H2,1H3
InChIKeyOYIWZQDDJLOQFO-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.41
Rot. Bonds1

About 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine

3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 84618499) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID84618499
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1COc2c(F)cccc2N1
InChIInChI=1S/C10H12FNO/c1-2-7-6-13-10-8(11)4-3-5-9(10)12-7/h3-5,7,12H,2,6H2,1H3
InChIKeyOYIWZQDDJLOQFO-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229951
2-(8-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetonitrile
CID 84618680
1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine
CID 84636424
3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 84619164
2-(8-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84621369
2-ethyl-2,3-dihydro-1H-indol-4-ol
CID 119085836
5,15-diethyl-3,17-dioxa-6,14-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 15449519
9-fluoro-2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82229787
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84625811
8-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017783
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine (CID 84618499) is 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine is CCC1COc2c(F)cccc2N1.
What is the InChIKey of 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is OYIWZQDDJLOQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-7-6-13-10-8(11)4-3-5-9(10)12-7/h3-5,7,12H,2,6H2,1H3.
What are the key properties of 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine?
3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 181.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 84618499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).