ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine

C11H16FNO — CID 145415820

IUPACethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC.CN1CCOc2ccc(F)cc21
InChIInChI=1S/C9H10FNO.C2H6/c1-11-4-5-12-9-3-2-7(10)6-8(9)11;1-2/h2-3,6H,4-5H2,1H3;1-2H3
InChIKeyFXPRDOYYVWIXQN-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.68
Rot. Bonds

About ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine

ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 145415820) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Nameethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID145415820
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Nameethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC.CN1CCOc2ccc(F)cc21
InChIInChI=1S/C9H10FNO.C2H6/c1-11-4-5-12-9-3-2-7(10)6-8(9)11;1-2/h2-3,6H,4-5H2,1H3;1-2H3
InChIKeyFXPRDOYYVWIXQN-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
4-ethyl-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 89030466
ethane;4-methyl-2,3-dihydro-1,4-benzoxazine
CID 142222866
6-chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 171788147
6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 91461591
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 110639273
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
CID 117236074
6-fluoro-4-(4-fluoro-3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639369
2-ethyl-1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one
CID 110639282
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 139000372
1-[4-[(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]ethanone
CID 110639412
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269

Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 145415820) is ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine is CC.CN1CCOc2ccc(F)cc21.
What is the InChIKey of ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is FXPRDOYYVWIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO.C2H6/c1-11-4-5-12-9-3-2-7(10)6-8(9)11;1-2/h2-3,6H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 197.25 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 145415820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).