6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine

C7H13FN2O — CID 123986836

IUPAC6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESCC(C)(F)C1OCCN=C1N
InChIInChI=1S/C7H13FN2O/c1-7(2,8)5-6(9)10-3-4-11-5/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyQFBFTMXGEUFMGT-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.49
Rot. Bonds1

About 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine

6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 123986836) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID123986836
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESCC(C)(F)C1OCCN=C1N
InChIInChI=1S/C7H13FN2O/c1-7(2,8)5-6(9)10-3-4-11-5/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyQFBFTMXGEUFMGT-UHFFFAOYSA-N
XLogP0.49
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 123986836) is 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine is CC(C)(F)C1OCCN=C1N.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is QFBFTMXGEUFMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-7(2,8)5-6(9)10-3-4-11-5/h5H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 160.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 123986836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).