2,2,6-trifluoro-6-methylmorpholine

C5H8F3NO — CID 159594623

IUPAC2,2,6-trifluoro-6-methylmorpholine
SMILESCC1(F)CNCC(F)(F)O1
InChIInChI=1S/C5H8F3NO/c1-4(6)2-9-3-5(7,8)10-4/h9H,2-3H2,1H3
InChIKeyMKRGZXKIDAAGDT-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.88
Rot. Bonds

About 2,2,6-trifluoro-6-methylmorpholine

2,2,6-trifluoro-6-methylmorpholine (PubChem CID 159594623) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 2,2,6-trifluoro-6-methylmorpholine.

Molecular Properties

Compound Name2,2,6-trifluoro-6-methylmorpholine
PubChem CID159594623
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name2,2,6-trifluoro-6-methylmorpholine
SMILESCC1(F)CNCC(F)(F)O1
InChIInChI=1S/C5H8F3NO/c1-4(6)2-9-3-5(7,8)10-4/h9H,2-3H2,1H3
InChIKeyMKRGZXKIDAAGDT-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)morpholine hydrochloride
CID 53534844
2-Methyl-6-(trifluoromethyl)morpholine
CID 63901303
2,2-Dimethyl-6-(trifluoromethyl)morpholine
CID 65102380
(2S)-2-(trifluoromethyl)morpholine hydrochloride
CID 68285203
(2R)-2-(trifluoromethyl)morpholine hydrochloride
CID 68285224
2-(Difluoromethyl)morpholine
CID 68846218
2-(Difluoromethyl)morpholine hydrochloride
CID 118280684
2-Methyl-2-(trifluoromethyl)morpholine hydrochloride
CID 118610583
(2R)-2-(difluoromethyl)morpholine hydrochloride
CID 140765927
(2S)-2-(difluoromethyl)morpholine hydrochloride
CID 140765944
(2R,6S)-2-methyl-6-(trifluoromethyl)morpholine hydrochloride
CID 165999831
Morpholine, 2-(2,2,2-trifluoroethyl)-
CID 91618409

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trifluoro-6-methylmorpholine?
The IUPAC name of 2,2,6-trifluoro-6-methylmorpholine (CID 159594623) is 2,2,6-trifluoro-6-methylmorpholine.
What is the SMILES notation for 2,2,6-trifluoro-6-methylmorpholine?
The canonical SMILES for 2,2,6-trifluoro-6-methylmorpholine is CC1(F)CNCC(F)(F)O1.
What is the InChIKey of 2,2,6-trifluoro-6-methylmorpholine?
The InChIKey is MKRGZXKIDAAGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-4(6)2-9-3-5(7,8)10-4/h9H,2-3H2,1H3.
What are the key properties of 2,2,6-trifluoro-6-methylmorpholine?
2,2,6-trifluoro-6-methylmorpholine has a molecular weight of 155.12 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trifluoro-6-methylmorpholine is sourced from PubChem (CID 159594623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).