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

C14H19F2NO2 — CID 111382198

IUPAC1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol
SMILESCCC1COCCN1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-2-11-9-19-6-5-17(11)8-14(18)10-3-4-12(15)13(16)7-10/h3-4,7,11,14,18H,2,5-6,8-9H2,1H3
InChIKeyNUZBXBQUEXJENC-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.11
Rot. Bonds4

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

1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol (PubChem CID 111382198) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol
PubChem CID111382198
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol
SMILESCCC1COCCN1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-2-11-9-19-6-5-17(11)8-14(18)10-3-4-12(15)13(16)7-10/h3-4,7,11,14,18H,2,5-6,8-9H2,1H3
InChIKeyNUZBXBQUEXJENC-UHFFFAOYSA-N
XLogP2.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol (CID 111382198) is 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol is CCC1COCCN1CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol?
The InChIKey is NUZBXBQUEXJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-2-11-9-19-6-5-17(11)8-14(18)10-3-4-12(15)13(16)7-10/h3-4,7,11,14,18H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol?
1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol has a molecular weight of 271.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol is sourced from PubChem (CID 111382198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).