6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine

C15H26F3NO — CID 103161146

IUPAC6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine
SMILESCC1(CCCC(F)(F)F)CNCC(CC2CCCC2)O1
InChIInChI=1S/C15H26F3NO/c1-14(7-4-8-15(16,17)18)11-19-10-13(20-14)9-12-5-2-3-6-12/h12-13,19H,2-11H2,1H3
InChIKeyJRNCNRYPZJBWOX-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds5

About 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine

6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine (PubChem CID 103161146) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine.

Molecular Properties

Compound Name6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine
PubChem CID103161146
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine
SMILESCC1(CCCC(F)(F)F)CNCC(CC2CCCC2)O1
InChIInChI=1S/C15H26F3NO/c1-14(7-4-8-15(16,17)18)11-19-10-13(20-14)9-12-5-2-3-6-12/h12-13,19H,2-11H2,1H3
InChIKeyJRNCNRYPZJBWOX-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine?
The IUPAC name of 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine (CID 103161146) is 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine.
What is the SMILES notation for 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine?
The canonical SMILES for 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine is CC1(CCCC(F)(F)F)CNCC(CC2CCCC2)O1.
What is the InChIKey of 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine?
The InChIKey is JRNCNRYPZJBWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-14(7-4-8-15(16,17)18)11-19-10-13(20-14)9-12-5-2-3-6-12/h12-13,19H,2-11H2,1H3.
What are the key properties of 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine?
6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine has a molecular weight of 293.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine is sourced from PubChem (CID 103161146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).