6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine

C13H23F2NO2 — CID 114224276

IUPAC6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(COCC2CCC(F)(F)C2)O1
InChIInChI=1S/C13H23F2NO2/c1-12(2)9-16-6-11(18-12)8-17-7-10-3-4-13(14,15)5-10/h10-11,16H,3-9H2,1-2H3
InChIKeyIXSHMFFHOBUHLK-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.21
Rot. Bonds4

About 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine

6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine (PubChem CID 114224276) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine
PubChem CID114224276
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(COCC2CCC(F)(F)C2)O1
InChIInChI=1S/C13H23F2NO2/c1-12(2)9-16-6-11(18-12)8-17-7-10-3-4-13(14,15)5-10/h10-11,16H,3-9H2,1-2H3
InChIKeyIXSHMFFHOBUHLK-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopentyl-6-(trifluoromethyl)morpholine
CID 73994595
5,5,5-Trifluoro-2-morpholin-2-ylpentan-2-ol
CID 91378325
2-(cyclopentylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 66324004
(2R,6R)-2-cyclopentyl-6-(trifluoromethyl)morpholine
CID 95970470
(2S,6R)-2-cyclopentyl-6-(trifluoromethyl)morpholine
CID 95970471
(2R,6S)-2-cyclopentyl-6-(trifluoromethyl)morpholine
CID 95970472
(2S,6S)-2-cyclopentyl-6-(trifluoromethyl)morpholine
CID 95970473
6-(Cyclopentylmethyl)-2-methyl-2-(4,4,4-trifluorobutyl)morpholine
CID 103161146
2-(3,3-difluorocyclopentyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 114225781
N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]ethanamine
CID 62107028
N-[[1-(oxan-2-ylmethoxy)cyclopentyl]methyl]propan-1-amine
CID 62107029
2-(2-Ethylhexoxymethyl)morpholine
CID 64533657

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine (CID 114224276) is 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine is CC1(C)CNCC(COCC2CCC(F)(F)C2)O1.
What is the InChIKey of 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine?
The InChIKey is IXSHMFFHOBUHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-12(2)9-16-6-11(18-12)8-17-7-10-3-4-13(14,15)5-10/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine?
6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine has a molecular weight of 263.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluorocyclopentyl)methoxymethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 114224276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).