5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

C12H11F5N2O — CID 78143474

IUPAC5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESCC1(c2ccccc2F)N=C(N)OC(C(F)(F)F)C1F
InChIInChI=1S/C12H11F5N2O/c1-11(6-4-2-3-5-7(6)13)8(14)9(12(15,16)17)20-10(18)19-11/h2-5,8-9H,1H3,(H2,18,19)
InChIKeyFLORKFGXIDAYTP-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.65
Rot. Bonds1

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

5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 78143474) has the molecular formula C12H11F5N2O and a molecular weight of 294.22 g/mol. Its IUPAC name is 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID78143474
Molecular FormulaC12H11F5N2O
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Name5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESCC1(c2ccccc2F)N=C(N)OC(C(F)(F)F)C1F
InChIInChI=1S/C12H11F5N2O/c1-11(6-4-2-3-5-7(6)13)8(14)9(12(15,16)17)20-10(18)19-11/h2-5,8-9H,1H3,(H2,18,19)
InChIKeyFLORKFGXIDAYTP-UHFFFAOYSA-N
XLogP2.65
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
CID 118399151
(4R,5R,6S)-6-[cyclopropyl(difluoro)methyl]-5-fluoro-4-(2-fluorophenyl)-2,4-dimethyl-5,6-dihydro-1,3-oxazine
CID 126682362
4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 78143397
6-ethenyl-4-(2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxymethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 123475308
(4S,4aR,8aR)-5,5-difluoro-4-(2-fluorophenyl)-4-methyl-6,7,8,8a-tetrahydro-4aH-1,3-benzoxazin-2-amine
CID 90029541
3-[(4R,5R,6S)-6-(1,1-difluoroethyl)-5-fluoro-2,4-dimethyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoroaniline
CID 126682360
5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine
CID 157136722
2-[3-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone
CID 159205323
N-[3-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-but-2-ynoxypyrazine-2-carboxamide
CID 123794138
N-[6-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 86295797
N-[6-[2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 123728009
N-[3-[(4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118440825

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (CID 78143474) is 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is CC1(c2ccccc2F)N=C(N)OC(C(F)(F)F)C1F.
What is the InChIKey of 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is FLORKFGXIDAYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O/c1-11(6-4-2-3-5-7(6)13)8(14)9(12(15,16)17)20-10(18)19-11/h2-5,8-9H,1H3,(H2,18,19).
What are the key properties of 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 294.22 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 78143474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).