(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol

C13H18FNO3 — CID 104877438

IUPAC(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCOCC1CO
InChIInChI=1S/C13H18FNO3/c1-9(17)13-11(14)3-2-4-12(13)15-5-6-18-8-10(15)7-16/h2-4,9-10,16-17H,5-8H2,1H3/t9-,10?/m0/s1
InChIKeyRDJBPLLGZIZNEC-RGURZIINSA-N
MW255.29 g/mol
LogP1.08
Rot. Bonds3

About (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol

(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol (PubChem CID 104877438) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
PubChem CID104877438
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCOCC1CO
InChIInChI=1S/C13H18FNO3/c1-9(17)13-11(14)3-2-4-12(13)15-5-6-18-8-10(15)7-16/h2-4,9-10,16-17H,5-8H2,1H3/t9-,10?/m0/s1
InChIKeyRDJBPLLGZIZNEC-RGURZIINSA-N
XLogP1.08
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol (CID 104877438) is (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol is C[C@H](O)c1c(F)cccc1N1CCOCC1CO.
What is the InChIKey of (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol?
The InChIKey is RDJBPLLGZIZNEC-RGURZIINSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(17)13-11(14)3-2-4-12(13)15-5-6-18-8-10(15)7-16/h2-4,9-10,16-17H,5-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol?
(1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol has a molecular weight of 255.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-[3-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol is sourced from PubChem (CID 104877438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).