N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

C5H7F3N2O — CID 141342881

IUPACN-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESFC(F)(F)NC1=NCCOC1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)10-4-3-11-2-1-9-4/h1-3H2,(H,9,10)
InChIKeyCVJMXSOFGAMHLP-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.52
Rot. Bonds

About N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 141342881) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID141342881
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC NameN-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESFC(F)(F)NC1=NCCOC1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)10-4-3-11-2-1-9-4/h1-3H2,(H,9,10)
InChIKeyCVJMXSOFGAMHLP-UHFFFAOYSA-N
XLogP0.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 141342881) is N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is FC(F)(F)NC1=NCCOC1.
What is the InChIKey of N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is CVJMXSOFGAMHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)10-4-3-11-2-1-9-4/h1-3H2,(H,9,10).
What are the key properties of N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 168.12 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 141342881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).