(7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C15H21FN2O — CID 143423213

IUPAC(7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESFC[C@@H]1CN2CCOCC2CN1Cc1ccccc1
InChIInChI=1S/C15H21FN2O/c16-8-14-10-17-6-7-19-12-15(17)11-18(14)9-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t14-,15?/m1/s1
InChIKeyVXDCVLLKNWIPLW-GICMACPYSA-N
MW264.34 g/mol
LogP1.54
Rot. Bonds3

About (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

(7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 143423213) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID143423213
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESFC[C@@H]1CN2CCOCC2CN1Cc1ccccc1
InChIInChI=1S/C15H21FN2O/c16-8-14-10-17-6-7-19-12-15(17)11-18(14)9-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t14-,15?/m1/s1
InChIKeyVXDCVLLKNWIPLW-GICMACPYSA-N
XLogP1.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 143423213) is (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is FC[C@@H]1CN2CCOCC2CN1Cc1ccccc1.
What is the InChIKey of (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is VXDCVLLKNWIPLW-GICMACPYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-8-14-10-17-6-7-19-12-15(17)11-18(14)9-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2/t14-,15?/m1/s1.
What are the key properties of (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
(7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 264.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-8-benzyl-7-(fluoromethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 143423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).