(3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine

C13H14F4N2O — CID 66665656

IUPAC(3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
SMILESC[C@@]1(c2ccccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C13H14F4N2O/c1-11(8-5-3-4-6-9(8)14)7-20-12(2,10(18)19-11)13(15,16)17/h3-6H,7H2,1-2H3,(H2,18,19)/t11-,12+/m0/s1
InChIKeyNSVJXHFQOXUSHI-NWDGAFQWSA-N
MW290.26 g/mol
LogP2.75
Rot. Bonds1

About (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine

(3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine (PubChem CID 66665656) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound Name(3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
PubChem CID66665656
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name(3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine
SMILESC[C@@]1(c2ccccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C13H14F4N2O/c1-11(8-5-3-4-6-9(8)14)7-20-12(2,10(18)19-11)13(15,16)17/h3-6H,7H2,1-2H3,(H2,18,19)/t11-,12+/m0/s1
InChIKeyNSVJXHFQOXUSHI-NWDGAFQWSA-N
XLogP2.75
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine?
The IUPAC name of (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine (CID 66665656) is (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine.
What is the SMILES notation for (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine?
The canonical SMILES for (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine is C[C@@]1(c2ccccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine?
The InChIKey is NSVJXHFQOXUSHI-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H14F4N2O/c1-11(8-5-3-4-6-9(8)14)7-20-12(2,10(18)19-11)13(15,16)17/h3-6H,7H2,1-2H3,(H2,18,19)/t11-,12+/m0/s1.
What are the key properties of (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine?
(3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine has a molecular weight of 290.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-(2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 66665656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).