(4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine

C11H11F3N2O — CID 70815500

IUPAC(4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESNC1=N[C@](CF)(c2ccccc2F)[C@@H](F)CO1
InChIInChI=1S/C11H11F3N2O/c12-6-11(7-3-1-2-4-8(7)13)9(14)5-17-10(15)16-11/h1-4,9H,5-6H2,(H2,15,16)/t9-,11+/m0/s1
InChIKeyWDIREWDYJKWFGS-GXSJLCMTSA-N
MW244.22 g/mol
LogP1.67
Rot. Bonds2

About (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine

(4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 70815500) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID70815500
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESNC1=N[C@](CF)(c2ccccc2F)[C@@H](F)CO1
InChIInChI=1S/C11H11F3N2O/c12-6-11(7-3-1-2-4-8(7)13)9(14)5-17-10(15)16-11/h1-4,9H,5-6H2,(H2,15,16)/t9-,11+/m0/s1
InChIKeyWDIREWDYJKWFGS-GXSJLCMTSA-N
XLogP1.67
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine (CID 70815500) is (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine is NC1=N[C@](CF)(c2ccccc2F)[C@@H](F)CO1.
What is the InChIKey of (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is WDIREWDYJKWFGS-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-6-11(7-3-1-2-4-8(7)13)9(14)5-17-10(15)16-11/h1-4,9H,5-6H2,(H2,15,16)/t9-,11+/m0/s1.
What are the key properties of (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine?
(4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 244.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-fluoro-4-(fluoromethyl)-4-(2-fluorophenyl)-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 70815500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).