5-fluoro-2-[(3S)-morpholin-3-yl]phenol

C10H12FNO2 — CID 55262699

IUPAC5-fluoro-2-[(3S)-morpholin-3-yl]phenol
SMILESOc1cc(F)ccc1[C@H]1COCCN1
InChIInChI=1S/C10H12FNO2/c11-7-1-2-8(10(13)5-7)9-6-14-4-3-12-9/h1-2,5,9,12-13H,3-4,6H2/t9-/m1/s1
InChIKeyZJQBCNVXQBPVHG-SECBINFHSA-N
MW197.21 g/mol
LogP1.19
Rot. Bonds1

About 5-fluoro-2-[(3S)-morpholin-3-yl]phenol

5-fluoro-2-[(3S)-morpholin-3-yl]phenol (PubChem CID 55262699) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-fluoro-2-[(3S)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[(3S)-morpholin-3-yl]phenol
PubChem CID55262699
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name5-fluoro-2-[(3S)-morpholin-3-yl]phenol
SMILESOc1cc(F)ccc1[C@H]1COCCN1
InChIInChI=1S/C10H12FNO2/c11-7-1-2-8(10(13)5-7)9-6-14-4-3-12-9/h1-2,5,9,12-13H,3-4,6H2/t9-/m1/s1
InChIKeyZJQBCNVXQBPVHG-SECBINFHSA-N
XLogP1.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-morpholin-3-ylphenol
CID 82613253
4,5-difluoro-2-morpholin-3-ylphenol
CID 84783766
(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
CID 171192736
2-morpholin-3-ylphenol
CID 55294349
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3S)-morpholin-3-yl]phenol?
The IUPAC name of 5-fluoro-2-[(3S)-morpholin-3-yl]phenol (CID 55262699) is 5-fluoro-2-[(3S)-morpholin-3-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[(3S)-morpholin-3-yl]phenol?
The canonical SMILES for 5-fluoro-2-[(3S)-morpholin-3-yl]phenol is Oc1cc(F)ccc1[C@H]1COCCN1.
What is the InChIKey of 5-fluoro-2-[(3S)-morpholin-3-yl]phenol?
The InChIKey is ZJQBCNVXQBPVHG-SECBINFHSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-7-1-2-8(10(13)5-7)9-6-14-4-3-12-9/h1-2,5,9,12-13H,3-4,6H2/t9-/m1/s1.
What are the key properties of 5-fluoro-2-[(3S)-morpholin-3-yl]phenol?
5-fluoro-2-[(3S)-morpholin-3-yl]phenol has a molecular weight of 197.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3S)-morpholin-3-yl]phenol is sourced from PubChem (CID 55262699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).