2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol

C13H23F2NO2 — CID 114224708

IUPAC2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol
SMILESCCN1CCOC(C(O)CC2CCC(F)(F)C2)C1
InChIInChI=1S/C13H23F2NO2/c1-2-16-5-6-18-12(9-16)11(17)7-10-3-4-13(14,15)8-10/h10-12,17H,2-9H2,1H3
InChIKeyZDDRBOUOPGELOL-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.89
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol

2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol (PubChem CID 114224708) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol
PubChem CID114224708
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol
SMILESCCN1CCOC(C(O)CC2CCC(F)(F)C2)C1
InChIInChI=1S/C13H23F2NO2/c1-2-16-5-6-18-12(9-16)11(17)7-10-3-4-13(14,15)8-10/h10-12,17H,2-9H2,1H3
InChIKeyZDDRBOUOPGELOL-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol (CID 114224708) is 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol is CCN1CCOC(C(O)CC2CCC(F)(F)C2)C1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol?
The InChIKey is ZDDRBOUOPGELOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-2-16-5-6-18-12(9-16)11(17)7-10-3-4-13(14,15)8-10/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol?
2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol has a molecular weight of 263.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol is sourced from PubChem (CID 114224708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).