(2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine

C8H16FNO — CID 177186779

IUPAC(2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine
SMILESCCN1C[C@@H](CF)O[C@H](C)C1
InChIInChI=1S/C8H16FNO/c1-3-10-5-7(2)11-8(4-9)6-10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyISJONMXNWHOWST-HTQZYQBOSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds2

About (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine

(2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine (PubChem CID 177186779) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine
PubChem CID177186779
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine
SMILESCCN1C[C@@H](CF)O[C@H](C)C1
InChIInChI=1S/C8H16FNO/c1-3-10-5-7(2)11-8(4-9)6-10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyISJONMXNWHOWST-HTQZYQBOSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine?
The IUPAC name of (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine (CID 177186779) is (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine.
What is the SMILES notation for (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine?
The canonical SMILES for (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine is CCN1C[C@@H](CF)O[C@H](C)C1.
What is the InChIKey of (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine?
The InChIKey is ISJONMXNWHOWST-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-10-5-7(2)11-8(4-9)6-10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine?
(2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine is sourced from PubChem (CID 177186779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).