(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol

C17H26FNO2 — CID 102744674

IUPAC(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
SMILESCc1cc(N2CC(C)(C)OC(C)(C)C2)c([C@H](C)O)cc1F
InChIInChI=1S/C17H26FNO2/c1-11-7-15(13(12(2)20)8-14(11)18)19-9-16(3,4)21-17(5,6)10-19/h7-8,12,20H,9-10H2,1-6H3/t12-/m0/s1
InChIKeyYXAFPYZPQVCXCM-LBPRGKRZSA-N
MW295.40 g/mol
LogP3.58
Rot. Bonds2

About (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol

(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol (PubChem CID 102744674) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
PubChem CID102744674
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol
SMILESCc1cc(N2CC(C)(C)OC(C)(C)C2)c([C@H](C)O)cc1F
InChIInChI=1S/C17H26FNO2/c1-11-7-15(13(12(2)20)8-14(11)18)19-9-16(3,4)21-17(5,6)10-19/h7-8,12,20H,9-10H2,1-6H3/t12-/m0/s1
InChIKeyYXAFPYZPQVCXCM-LBPRGKRZSA-N
XLogP3.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol (CID 102744674) is (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol is Cc1cc(N2CC(C)(C)OC(C)(C)C2)c([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol?
The InChIKey is YXAFPYZPQVCXCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-11-7-15(13(12(2)20)8-14(11)18)19-9-16(3,4)21-17(5,6)10-19/h7-8,12,20H,9-10H2,1-6H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol?
(1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol has a molecular weight of 295.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanol is sourced from PubChem (CID 102744674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).