3-(fluoromethyl)-4-methylmorpholine

C6H12FNO — CID 83854278

IUPAC3-(fluoromethyl)-4-methylmorpholine
SMILESCN1CCOCC1CF
InChIInChI=1S/C6H12FNO/c1-8-2-3-9-5-6(8)4-7/h6H,2-5H2,1H3
InChIKeyFKDFOJMOONVEHY-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.29
Rot. Bonds1

About 3-(fluoromethyl)-4-methylmorpholine

3-(fluoromethyl)-4-methylmorpholine (PubChem CID 83854278) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-methylmorpholine.

Molecular Properties

Compound Name3-(fluoromethyl)-4-methylmorpholine
PubChem CID83854278
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-(fluoromethyl)-4-methylmorpholine
SMILESCN1CCOCC1CF
InChIInChI=1S/C6H12FNO/c1-8-2-3-9-5-6(8)4-7/h6H,2-5H2,1H3
InChIKeyFKDFOJMOONVEHY-UHFFFAOYSA-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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Related Compounds

(3S)-3-ethyl-4-methylmorpholine
CID 130351596
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
[(3S)-4-methylmorpholin-3-yl]methanamine
CID 66577079
2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392
(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
CID 168851954
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703
ethane;2-[(4-methylmorpholin-3-yl)methyl]propane-1,3-diol
CID 144576606
N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
ethane;N-methyl-3-(4-methylmorpholin-3-yl)propan-1-amine
CID 178086469
N-[(4-methylmorpholin-3-yl)methyl]acetamide
CID 10035059
3-benzyl-4-methylmorpholine;ethane
CID 168940239
3-(difluoromethyl)-4-methylmorpholine
CID 137453756

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-methylmorpholine?
The IUPAC name of 3-(fluoromethyl)-4-methylmorpholine (CID 83854278) is 3-(fluoromethyl)-4-methylmorpholine.
What is the SMILES notation for 3-(fluoromethyl)-4-methylmorpholine?
The canonical SMILES for 3-(fluoromethyl)-4-methylmorpholine is CN1CCOCC1CF.
What is the InChIKey of 3-(fluoromethyl)-4-methylmorpholine?
The InChIKey is FKDFOJMOONVEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-2-3-9-5-6(8)4-7/h6H,2-5H2,1H3.
What are the key properties of 3-(fluoromethyl)-4-methylmorpholine?
3-(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 3-(fluoromethyl)-4-methylmorpholine is sourced from PubChem (CID 83854278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).