4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine

C21H40FNO — CID 138751919

IUPAC4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine
SMILESCC(C)CCC(CCC(C)CCN1CCOCC1)C1CCC(F)C1
InChIInChI=1S/C21H40FNO/c1-17(2)4-6-19(20-8-9-21(22)16-20)7-5-18(3)10-11-23-12-14-24-15-13-23/h17-21H,4-16H2,1-3H3
InChIKeyLKWMHGYKTMODDU-UHFFFAOYSA-N
MW341.56 g/mol
LogP5.32
Rot. Bonds10

About 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine

4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine (PubChem CID 138751919) has the molecular formula C21H40FNO and a molecular weight of 341.56 g/mol. Its IUPAC name is 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine.

Molecular Properties

Compound Name4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine
PubChem CID138751919
Molecular FormulaC21H40FNO
Molecular Weight341.56 g/mol
Exact Mass341.31
IUPAC Name4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine
SMILESCC(C)CCC(CCC(C)CCN1CCOCC1)C1CCC(F)C1
InChIInChI=1S/C21H40FNO/c1-17(2)4-6-19(20-8-9-21(22)16-20)7-5-18(3)10-11-23-12-14-24-15-13-23/h17-21H,4-16H2,1-3H3
InChIKeyLKWMHGYKTMODDU-UHFFFAOYSA-N
XLogP5.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.56
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4,4,7,7,9,9,10,11,11,11-Decafluoro-2-methyl-10-(trifluoromethyl)undecyl]morpholine
CID 89623510
4-(4,4,7,7,9,9,10,10,13,13,13-Undecafluoro-2-methyltridecyl)morpholine
CID 89623874
4-(4,4,7,7,9,9,10,10,11,11,11-Undecafluoro-2-methylundecyl)morpholine
CID 89623991
4-[4-(3-Fluorocyclopentyl)-3-methylpentyl]morpholine
CID 138617893
4-[4-(3-Fluorocyclopentyl)-3,5-dimethylhexyl]morpholine
CID 156072221
3,3-Difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine
CID 177178872
(3S,4S)-4-(fluoromethyl)-1-(2-methoxyethyl)-3-methyl-3-(2-methylpropyl)piperidine
CID 178101673
4-(2-Methyldodecyl)morpholine
CID 11076481
4-(2-Fluoro-2-propylheptyl)morpholine
CID 144754868
4-(2-Methyltetradecyl)morpholine
CID 15317286
(2S,6S)-2,6-dimethyl-4-(11-methyldodecyl)morpholine
CID 13391726
2,6-Dimethyl-4-(11-methyldodecyl)morpholine
CID 13391727

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine?
The IUPAC name of 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine (CID 138751919) is 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine.
What is the SMILES notation for 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine?
The canonical SMILES for 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine is CC(C)CCC(CCC(C)CCN1CCOCC1)C1CCC(F)C1.
What is the InChIKey of 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine?
The InChIKey is LKWMHGYKTMODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40FNO/c1-17(2)4-6-19(20-8-9-21(22)16-20)7-5-18(3)10-11-23-12-14-24-15-13-23/h17-21H,4-16H2,1-3H3.
What are the key properties of 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine?
4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine has a molecular weight of 341.56 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluorocyclopentyl)-3,9-dimethyldecyl]morpholine is sourced from PubChem (CID 138751919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).