(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

C17H14F5N3O2 — CID 90373220

IUPAC(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESNC1=N[C@](CF)(c2cc(Oc3ccccn3)ccc2F)C[C@@H](C(F)(F)F)O1
InChIInChI=1S/C17H14F5N3O2/c18-9-16(8-13(17(20,21)22)27-15(23)25-16)11-7-10(4-5-12(11)19)26-14-3-1-2-6-24-14/h1-7,13H,8-9H2,(H2,23,25)/t13-,16+/m0/s1
InChIKeyHKNKUOLXKSNPAZ-XJKSGUPXSA-N
MW387.31 g/mol
LogP3.84
Rot. Bonds4

About (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 90373220) has the molecular formula C17H14F5N3O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID90373220
Molecular FormulaC17H14F5N3O2
Molecular Weight387.31 g/mol
Exact Mass387.10
IUPAC Name(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESNC1=N[C@](CF)(c2cc(Oc3ccccn3)ccc2F)C[C@@H](C(F)(F)F)O1
InChIInChI=1S/C17H14F5N3O2/c18-9-16(8-13(17(20,21)22)27-15(23)25-16)11-7-10(4-5-12(11)19)26-14-3-1-2-6-24-14/h1-7,13H,8-9H2,(H2,23,25)/t13-,16+/m0/s1
InChIKeyHKNKUOLXKSNPAZ-XJKSGUPXSA-N
XLogP3.84
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (CID 90373220) is (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is NC1=N[C@](CF)(c2cc(Oc3ccccn3)ccc2F)C[C@@H](C(F)(F)F)O1.
What is the InChIKey of (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is HKNKUOLXKSNPAZ-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H14F5N3O2/c18-9-16(8-13(17(20,21)22)27-15(23)25-16)11-7-10(4-5-12(11)19)26-14-3-1-2-6-24-14/h1-7,13H,8-9H2,(H2,23,25)/t13-,16+/m0/s1.
What are the key properties of (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
(4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 387.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-(fluoromethyl)-4-(2-fluoro-5-pyridin-2-yloxyphenyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 90373220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).