(1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol

C16H24FNO2 — CID 102744613

IUPAC(1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H24FNO2/c1-11(19)14-12(17)7-6-8-13(14)18-9-15(2,3)20-16(4,5)10-18/h6-8,11,19H,9-10H2,1-5H3/t11-/m0/s1
InChIKeyKDRXMTFBAQFCLT-NSHDSACASA-N
MW281.37 g/mol
LogP3.27
Rot. Bonds2

About (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol

(1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol (PubChem CID 102744613) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
PubChem CID102744613
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H24FNO2/c1-11(19)14-12(17)7-6-8-13(14)18-9-15(2,3)20-16(4,5)10-18/h6-8,11,19H,9-10H2,1-5H3/t11-/m0/s1
InChIKeyKDRXMTFBAQFCLT-NSHDSACASA-N
XLogP3.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 102742805
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
CID 102744671
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 43505903
(1R)-1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55184646
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
1-(2,6-difluorophenyl)ethanol
CID 5012075

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol (CID 102744613) is (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol is C[C@H](O)c1c(F)cccc1N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol?
The InChIKey is KDRXMTFBAQFCLT-NSHDSACASA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(19)14-12(17)7-6-8-13(14)18-9-15(2,3)20-16(4,5)10-18/h6-8,11,19H,9-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol?
(1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol has a molecular weight of 281.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol is sourced from PubChem (CID 102744613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).