(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol

C14H20FNO2 — CID 78939791

IUPAC(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCCC1COCCN1c1ccc([C@H](C)O)cc1F
InChIInChI=1S/C14H20FNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m0/s1
InChIKeyAPUAXLLZUPHHBR-NUHJPDEHSA-N
MW253.32 g/mol
LogP2.49
Rot. Bonds3

About (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol

(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol (PubChem CID 78939791) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
PubChem CID78939791
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
SMILESCCC1COCCN1c1ccc([C@H](C)O)cc1F
InChIInChI=1S/C14H20FNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m0/s1
InChIKeyAPUAXLLZUPHHBR-NUHJPDEHSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol (CID 78939791) is (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol is CCC1COCCN1c1ccc([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
The InChIKey is APUAXLLZUPHHBR-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(10(2)17)8-13(14)15/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol?
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 78939791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).