5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine

C12H12F5N3O — CID 157136722

IUPAC5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine
SMILESCC1=N[C@](C)(c2nc(N)ccc2F)[C@@H](F)[C@@H](C(F)(F)F)O1
InChIInChI=1S/C12H12F5N3O/c1-5-20-11(2,8(14)10(21-5)12(15,16)17)9-6(13)3-4-7(18)19-9/h3-4,8,10H,1-2H3,(H2,18,19)/t8-,10-,11-/m0/s1
InChIKeyAJSCRLNLBFYRGB-LSJOCFKGSA-N
MW309.24 g/mol
LogP2.74
Rot. Bonds1

About 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine

5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine (PubChem CID 157136722) has the molecular formula C12H12F5N3O and a molecular weight of 309.24 g/mol. Its IUPAC name is 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine
PubChem CID157136722
Molecular FormulaC12H12F5N3O
Molecular Weight309.24 g/mol
Exact Mass309.09
IUPAC Name5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine
SMILESCC1=N[C@](C)(c2nc(N)ccc2F)[C@@H](F)[C@@H](C(F)(F)F)O1
InChIInChI=1S/C12H12F5N3O/c1-5-20-11(2,8(14)10(21-5)12(15,16)17)9-6(13)3-4-7(18)19-9/h3-4,8,10H,1-2H3,(H2,18,19)/t8-,10-,11-/m0/s1
InChIKeyAJSCRLNLBFYRGB-LSJOCFKGSA-N
XLogP2.74
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine?
The IUPAC name of 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) is 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine is CC1=N[C@](C)(c2nc(N)ccc2F)[C@@H](F)[C@@H](C(F)(F)F)O1.
What is the InChIKey of 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine?
The InChIKey is AJSCRLNLBFYRGB-LSJOCFKGSA-N. The full InChI is InChI=1S/C12H12F5N3O/c1-5-20-11(2,8(14)10(21-5)12(15,16)17)9-6(13)3-4-7(18)19-9/h3-4,8,10H,1-2H3,(H2,18,19)/t8-,10-,11-/m0/s1.
What are the key properties of 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine?
5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine has a molecular weight of 309.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(4R,5R,6S)-5-fluoro-2,4-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]pyridin-2-amine is sourced from PubChem (CID 157136722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).