2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine

C17H23F2NO — CID 103161246

IUPAC2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine
SMILESFC(F)c1cccc(C2CNCC(CC3CCCC3)O2)c1
InChIInChI=1S/C17H23F2NO/c18-17(19)14-7-3-6-13(9-14)16-11-20-10-15(21-16)8-12-4-1-2-5-12/h3,6-7,9,12,15-17,20H,1-2,4-5,8,10-11H2
InChIKeyFRELMCXNUMAXME-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.23
Rot. Bonds4

About 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine

2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine (PubChem CID 103161246) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine
PubChem CID103161246
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine
SMILESFC(F)c1cccc(C2CNCC(CC3CCCC3)O2)c1
InChIInChI=1S/C17H23F2NO/c18-17(19)14-7-3-6-13(9-14)16-11-20-10-15(21-16)8-12-4-1-2-5-12/h3,6-7,9,12,15-17,20H,1-2,4-5,8,10-11H2
InChIKeyFRELMCXNUMAXME-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethyl)-6-(4-methylphenyl)morpholine
CID 103161114
3-cyclopentyl-4-[3-(difluoromethyl)phenyl]piperidine
CID 115927082
2-(cyclopentylmethyl)-6-[2-(methoxymethyl)phenyl]morpholine
CID 103161186
2-(cyclopentylmethyl)-6-methylmorpholine
CID 103159107
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
2-(cyclopentylmethyl)-6-cyclopropylmorpholine
CID 103159121
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
2-[3-(difluoromethyl)phenyl]oxolan-3-amine
CID 115530352
2-[4-(difluoromethyl)phenyl]-6-methylmorpholine
CID 115525669
3-[6-(2,2-dimethylpropyl)morpholin-2-yl]benzonitrile
CID 107155080
5-[3-(difluoromethyl)phenyl]pyrrolidin-3-ol
CID 115529332
2,6-diphenylmorpholine
CID 43381979

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine?
The IUPAC name of 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine (CID 103161246) is 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine.
What is the SMILES notation for 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine?
The canonical SMILES for 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine is FC(F)c1cccc(C2CNCC(CC3CCCC3)O2)c1.
What is the InChIKey of 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine?
The InChIKey is FRELMCXNUMAXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c18-17(19)14-7-3-6-13(9-14)16-11-20-10-15(21-16)8-12-4-1-2-5-12/h3,6-7,9,12,15-17,20H,1-2,4-5,8,10-11H2.
What are the key properties of 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine?
2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine has a molecular weight of 295.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-6-[3-(difluoromethyl)phenyl]morpholine is sourced from PubChem (CID 103161246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).