4-(2-fluorobutyl)-3-methylmorpholine

C9H18FNO — CID 131089000

IUPAC4-(2-fluorobutyl)-3-methylmorpholine
SMILESCCC(F)CN1CCOCC1C
InChIInChI=1S/C9H18FNO/c1-3-9(10)6-11-4-5-12-7-8(11)2/h8-9H,3-7H2,1-2H3
InChIKeyFZQGSMJRNOWHOV-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds3

About 4-(2-fluorobutyl)-3-methylmorpholine

4-(2-fluorobutyl)-3-methylmorpholine (PubChem CID 131089000) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-(2-fluorobutyl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(2-fluorobutyl)-3-methylmorpholine
PubChem CID131089000
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-(2-fluorobutyl)-3-methylmorpholine
SMILESCCC(F)CN1CCOCC1C
InChIInChI=1S/C9H18FNO/c1-3-9(10)6-11-4-5-12-7-8(11)2/h8-9H,3-7H2,1-2H3
InChIKeyFZQGSMJRNOWHOV-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 130522087
4-(2-fluorobutyl)-3-methylthiomorpholine
CID 130684425
ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
CID 82775567
1-cyclopentyl-N-methyl-2-(3-methylmorpholin-4-yl)ethanamine
CID 104744784
1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 115474924
N'-hydroxy-2-methyl-3-(3-methylmorpholin-4-yl)propanimidamide
CID 43542176
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
2-methyl-3-(3-methylmorpholin-4-yl)-1-phenylpropan-1-amine
CID 62619774
N-[1-cyclohexyl-2-(3-methylmorpholin-4-yl)ethyl]propan-1-amine
CID 104744783
2-(3-methylmorpholin-4-yl)-1-(4-propylphenyl)ethanamine
CID 43542037
1-[2-(3-methylmorpholin-4-yl)ethyl]cyclopropan-1-amine
CID 131014785

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobutyl)-3-methylmorpholine?
The IUPAC name of 4-(2-fluorobutyl)-3-methylmorpholine (CID 131089000) is 4-(2-fluorobutyl)-3-methylmorpholine.
What is the SMILES notation for 4-(2-fluorobutyl)-3-methylmorpholine?
The canonical SMILES for 4-(2-fluorobutyl)-3-methylmorpholine is CCC(F)CN1CCOCC1C.
What is the InChIKey of 4-(2-fluorobutyl)-3-methylmorpholine?
The InChIKey is FZQGSMJRNOWHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-9(10)6-11-4-5-12-7-8(11)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(2-fluorobutyl)-3-methylmorpholine?
4-(2-fluorobutyl)-3-methylmorpholine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobutyl)-3-methylmorpholine is sourced from PubChem (CID 131089000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).