5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine

C17H15ClF6N4O — CID 171927170

IUPAC5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cncc(Cl)c1.NC1=NC(c2cc(N)ccc2F)(C(F)F)COC1
InChIInChI=1S/C11H12F3N3O.C6H3ClF3N/c12-8-2-1-6(15)3-7(8)11(10(13)14)5-18-4-9(16)17-11;7-5-1-4(2-11-3-5)6(8,9)10/h1-3,10H,4-5,15H2,(H2,16,17);1-3H
InChIKeyFRZRTLKEESQNGW-UHFFFAOYSA-N
MW440.78 g/mol
LogP4.01
Rot. Bonds2

About 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine

5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 171927170) has the molecular formula C17H15ClF6N4O and a molecular weight of 440.78 g/mol. Its IUPAC name is 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine
PubChem CID171927170
Molecular FormulaC17H15ClF6N4O
Molecular Weight440.78 g/mol
Exact Mass440.08
IUPAC Name5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cncc(Cl)c1.NC1=NC(c2cc(N)ccc2F)(C(F)F)COC1
InChIInChI=1S/C11H12F3N3O.C6H3ClF3N/c12-8-2-1-6(15)3-7(8)11(10(13)14)5-18-4-9(16)17-11;7-5-1-4(2-11-3-5)6(8,9)10/h1-3,10H,4-5,15H2,(H2,16,17);1-3H
InChIKeyFRZRTLKEESQNGW-UHFFFAOYSA-N
XLogP4.01
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.78
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine (CID 171927170) is 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine is FC(F)(F)c1cncc(Cl)c1.NC1=NC(c2cc(N)ccc2F)(C(F)F)COC1.
What is the InChIKey of 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is FRZRTLKEESQNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O.C6H3ClF3N/c12-8-2-1-6(15)3-7(8)11(10(13)14)5-18-4-9(16)17-11;7-5-1-4(2-11-3-5)6(8,9)10/h1-3,10H,4-5,15H2,(H2,16,17);1-3H.
What are the key properties of 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine?
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 440.78 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 171927170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).