6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine

C16H18F4N2O2 — CID 123475308

IUPAC6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESC=CC1OC(N)=NC(C)(c2ccccc2F)C1COCC(F)(F)F
InChIInChI=1S/C16H18F4N2O2/c1-3-13-11(8-23-9-16(18,19)20)15(2,22-14(21)24-13)10-6-4-5-7-12(10)17/h3-7,11,13H,1,8-9H2,2H3,(H2,21,22)
InChIKeyJWHLINNLOUADJY-UHFFFAOYSA-N
MW346.32 g/mol
LogP3.14
Rot. Bonds5

About 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine

6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 123475308) has the molecular formula C16H18F4N2O2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID123475308
Molecular FormulaC16H18F4N2O2
Molecular Weight346.32 g/mol
Exact Mass346.13
IUPAC Name6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESC=CC1OC(N)=NC(C)(c2ccccc2F)C1COCC(F)(F)F
InChIInChI=1S/C16H18F4N2O2/c1-3-13-11(8-23-9-16(18,19)20)15(2,22-14(21)24-13)10-6-4-5-7-12(10)17/h3-7,11,13H,1,8-9H2,2H3,(H2,21,22)
InChIKeyJWHLINNLOUADJY-UHFFFAOYSA-N
XLogP3.14
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 78143474
(4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 118399151
4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 78143397
(4S,4aR,8aR)-5,5-difluoro-4-(2-fluorophenyl)-4-methyl-6,7,8,8a-tetrahydro-4aH-1,3-benzoxazin-2-amine
CID 90029541
(1S,5R,6S)-5-(5-amino-2-fluorophenyl)-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 90401251
(1R,5S,6R)-5-(2-fluorophenyl)-5-[2-tri(propan-2-yl)silylethynyl]-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 123817979
(4R,5R,6S)-6-[cyclopropyl(difluoro)methyl]-5-fluoro-4-(2-fluorophenyl)-2,4-dimethyl-5,6-dihydro-1,3-oxazine
CID 126682362
(4S,6S)-4-(2,3-difluorophenyl)-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 86732225
(5R,6S)-2-amino-6-(2-fluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one
CID 59388555
2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanone
CID 161449620
(4S,4aS,5S,7aS)-4-(fluoromethyl)-4-(2-fluorophenyl)-5-methyl-4a,5,7,7a-tetrahydrofuro[3,4-e][1,3]oxazin-2-amine
CID 157405724
2-[3-[(4R,5R)-2-amino-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 147594339

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine (CID 123475308) is 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine is C=CC1OC(N)=NC(C)(c2ccccc2F)C1COCC(F)(F)F.
What is the InChIKey of 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is JWHLINNLOUADJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O2/c1-3-13-11(8-23-9-16(18,19)20)15(2,22-14(21)24-13)10-6-4-5-7-12(10)17/h3-7,11,13H,1,8-9H2,2H3,(H2,21,22).
What are the key properties of 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine?
6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 346.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 123475308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).