3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine

C13H24FNO2 — CID 113462386

IUPAC3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine
SMILESCC(F)(CCC1CCCO1)CC1COCCN1
InChIInChI=1S/C13H24FNO2/c1-13(14,5-4-12-3-2-7-17-12)9-11-10-16-8-6-15-11/h11-12,15H,2-10H2,1H3
InChIKeyHTFFUPNHAAGYDH-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.05
Rot. Bonds5

About 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine

3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine (PubChem CID 113462386) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine.

Molecular Properties

Compound Name3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine
PubChem CID113462386
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine
SMILESCC(F)(CCC1CCCO1)CC1COCCN1
InChIInChI=1S/C13H24FNO2/c1-13(14,5-4-12-3-2-7-17-12)9-11-10-16-8-6-15-11/h11-12,15H,2-10H2,1H3
InChIKeyHTFFUPNHAAGYDH-UHFFFAOYSA-N
XLogP2.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119031214
2-(1-Fluorocyclohexyl)morpholine
CID 20085728
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CID 20648533
2-[(1-Fluorocyclohexyl)methyl]morpholine
CID 21475576
5-(2-Fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane
CID 140662958
2,2-Didodecyl-3-fluoromorpholine
CID 141089196
(2-Ethyl-1-piperidin-2-ylpentyl) hypofluorite
CID 144738728
2-(1-Fluorocycloheptyl)morpholine
CID 175482467
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
Dimethyloctahydrofuro[3,2-b]pyridine
CID 129847490
2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102732
6-(Cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine
CID 103161146

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine?
The IUPAC name of 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine (CID 113462386) is 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine.
What is the SMILES notation for 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine?
The canonical SMILES for 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine is CC(F)(CCC1CCCO1)CC1COCCN1.
What is the InChIKey of 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine?
The InChIKey is HTFFUPNHAAGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-13(14,5-4-12-3-2-7-17-12)9-11-10-16-8-6-15-11/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine?
3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine has a molecular weight of 245.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-methyl-4-(oxolan-2-yl)butyl]morpholine is sourced from PubChem (CID 113462386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).