(2S)-2-(fluoromethyl)-4-methylmorpholine

C6H12FNO — CID 125455028

IUPAC(2S)-2-(fluoromethyl)-4-methylmorpholine
SMILESCN1CCO[C@H](CF)C1
InChIInChI=1S/C6H12FNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyYMLZMJMGFDYJSA-ZCFIWIBFSA-N
MW133.17 g/mol
LogP0.29
Rot. Bonds1

About (2S)-2-(fluoromethyl)-4-methylmorpholine

(2S)-2-(fluoromethyl)-4-methylmorpholine (PubChem CID 125455028) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-4-methylmorpholine.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-4-methylmorpholine
PubChem CID125455028
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(2S)-2-(fluoromethyl)-4-methylmorpholine
SMILESCN1CCO[C@H](CF)C1
InChIInChI=1S/C6H12FNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyYMLZMJMGFDYJSA-ZCFIWIBFSA-N
XLogP0.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)-4-methylmorpholine?
The IUPAC name of (2S)-2-(fluoromethyl)-4-methylmorpholine (CID 125455028) is (2S)-2-(fluoromethyl)-4-methylmorpholine.
What is the SMILES notation for (2S)-2-(fluoromethyl)-4-methylmorpholine?
The canonical SMILES for (2S)-2-(fluoromethyl)-4-methylmorpholine is CN1CCO[C@H](CF)C1.
What is the InChIKey of (2S)-2-(fluoromethyl)-4-methylmorpholine?
The InChIKey is YMLZMJMGFDYJSA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2S)-2-(fluoromethyl)-4-methylmorpholine?
(2S)-2-(fluoromethyl)-4-methylmorpholine has a molecular weight of 133.17 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-4-methylmorpholine is sourced from PubChem (CID 125455028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).