2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C15H25F2NO4 — CID 128978540

IUPAC2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCOCC1CN(C(=O)C(F)(F)C2(O)CCCC2)CC(C)(C)O1
InChIInChI=1S/C15H25F2NO4/c1-13(2)10-18(8-11(22-13)9-21-3)12(19)15(16,17)14(20)6-4-5-7-14/h11,20H,4-10H2,1-3H3
InChIKeyJORUVIQBQRQBOA-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.58
Rot. Bonds4

About 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 128978540) has the molecular formula C15H25F2NO4 and a molecular weight of 321.36 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID128978540
Molecular FormulaC15H25F2NO4
Molecular Weight321.36 g/mol
Exact Mass321.18
IUPAC Name2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCOCC1CN(C(=O)C(F)(F)C2(O)CCCC2)CC(C)(C)O1
InChIInChI=1S/C15H25F2NO4/c1-13(2)10-18(8-11(22-13)9-21-3)12(19)15(16,17)14(20)6-4-5-7-14/h11,20H,4-10H2,1-3H3
InChIKeyJORUVIQBQRQBOA-UHFFFAOYSA-N
XLogP1.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 128978540) is 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is COCC1CN(C(=O)C(F)(F)C2(O)CCCC2)CC(C)(C)O1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is JORUVIQBQRQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO4/c1-13(2)10-18(8-11(22-13)9-21-3)12(19)15(16,17)14(20)6-4-5-7-14/h11,20H,4-10H2,1-3H3.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 321.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclopentyl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 128978540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).