5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine

C5H9FN2O — CID 169105660

IUPAC5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine
SMILESNC(F)C1=NCCCO1
InChIInChI=1S/C5H9FN2O/c6-4(7)5-8-2-1-3-9-5/h4H,1-3,7H2
InChIKeyHVDVTWGAJROUQH-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.06
Rot. Bonds1

About 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine

5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine (PubChem CID 169105660) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine
PubChem CID169105660
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine
SMILESNC(F)C1=NCCCO1
InChIInChI=1S/C5H9FN2O/c6-4(7)5-8-2-1-3-9-5/h4H,1-3,7H2
InChIKeyHVDVTWGAJROUQH-UHFFFAOYSA-N
XLogP0.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine
CID 67107875
2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine
CID 20538722
ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine
CID 91154236
2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine
CID 162681543
2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
CID 174687713
2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine
CID 175495301
N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523776
(Z)-2-(5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-1-amine
CID 170592620
4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol
CID 91057913
N-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-N-methylpropanamide
CID 59729657
2-decyl-5,6-dihydro-4H-1,3-oxazine
CID 169221818
2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
CID 169221826

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine?
The IUPAC name of 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine (CID 169105660) is 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine?
The canonical SMILES for 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine is NC(F)C1=NCCCO1.
What is the InChIKey of 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine?
The InChIKey is HVDVTWGAJROUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c6-4(7)5-8-2-1-3-9-5/h4H,1-3,7H2.
What are the key properties of 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine?
5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine has a molecular weight of 132.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine is sourced from PubChem (CID 169105660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).