(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine

C12H20F3N5O2 — CID 129345499

IUPAC(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine
SMILESCOC[C@@H]1CN(Cc2nnnn2CC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C12H20F3N5O2/c1-11(2)7-19(4-9(22-11)6-21-3)5-10-16-17-18-20(10)8-12(13,14)15/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyFEWMFIWKSDIVIM-VIFPVBQESA-N
MW323.32 g/mol
LogP0.86
Rot. Bonds5

About (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine

(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 129345499) has the molecular formula C12H20F3N5O2 and a molecular weight of 323.32 g/mol. Its IUPAC name is (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine
PubChem CID129345499
Molecular FormulaC12H20F3N5O2
Molecular Weight323.32 g/mol
Exact Mass323.16
IUPAC Name(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine
SMILESCOC[C@@H]1CN(Cc2nnnn2CC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C12H20F3N5O2/c1-11(2)7-19(4-9(22-11)6-21-3)5-10-16-17-18-20(10)8-12(13,14)15/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyFEWMFIWKSDIVIM-VIFPVBQESA-N
XLogP0.86
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine (CID 129345499) is (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine is COC[C@@H]1CN(Cc2nnnn2CC(F)(F)F)CC(C)(C)O1.
What is the InChIKey of (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is FEWMFIWKSDIVIM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20F3N5O2/c1-11(2)7-19(4-9(22-11)6-21-3)5-10-16-17-18-20(10)8-12(13,14)15/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine?
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 323.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 129345499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).