5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

C11H13F2N3O — CID 67608212

IUPAC5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=NC(CF)(c2cc(N)ccc2F)COC1
InChIInChI=1S/C11H13F2N3O/c12-5-11(6-17-4-10(15)16-11)8-3-7(14)1-2-9(8)13/h1-3H,4-6,14H2,(H2,15,16)
InChIKeyZNEMANYHKYMRAO-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.96
Rot. Bonds2

About 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 67608212) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID67608212
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=NC(CF)(c2cc(N)ccc2F)COC1
InChIInChI=1S/C11H13F2N3O/c12-5-11(6-17-4-10(15)16-11)8-3-7(14)1-2-9(8)13/h1-3H,4-6,14H2,(H2,15,16)
InChIKeyZNEMANYHKYMRAO-UHFFFAOYSA-N
XLogP0.96
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5R)-5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate
CID 66665357
(4S,6S)-4-(5-amino-2-fluorophenyl)-4-(fluoromethyl)-6-methyl-6-(trifluoromethyl)-5H-1,3-oxazin-2-amine
CID 90308153
N-[3-[(3R)-5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloro-4,6-dideuterio-3-(trideuteriomethyl)pyridine-2-carboxamide
CID 50913516
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-3-amine
CID 67979131
(4S,5S)-4-(5-amino-2-fluorophenyl)-5-fluoro-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 86672009
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine
CID 171927170
(5R)-5-[2-fluoro-5-(4-methylsulfanylbutyl)phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 159326418
(5R,6R)-5-(5-amino-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 122196031
3-[(3S)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide;hydrochloride
CID 67979246
5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 66665494
(3R)-3-(5-bromo-2-fluorophenyl)-3-(fluoromethyl)-6,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 86728107
(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride
CID 86667993

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (CID 67608212) is 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is NC1=NC(CF)(c2cc(N)ccc2F)COC1.
What is the InChIKey of 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is ZNEMANYHKYMRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c12-5-11(6-17-4-10(15)16-11)8-3-7(14)1-2-9(8)13/h1-3H,4-6,14H2,(H2,15,16).
What are the key properties of 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 241.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 67608212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).