4,5-difluoro-2-morpholin-3-ylphenol

C10H11F2NO2 — CID 84783766

IUPAC4,5-difluoro-2-morpholin-3-ylphenol
SMILESOc1cc(F)c(F)cc1C1COCCN1
InChIInChI=1S/C10H11F2NO2/c11-7-3-6(10(14)4-8(7)12)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2
InChIKeyKPGALDJDMABMDD-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.33
Rot. Bonds1

About 4,5-difluoro-2-morpholin-3-ylphenol

4,5-difluoro-2-morpholin-3-ylphenol (PubChem CID 84783766) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 4,5-difluoro-2-morpholin-3-ylphenol.

Molecular Properties

Compound Name4,5-difluoro-2-morpholin-3-ylphenol
PubChem CID84783766
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name4,5-difluoro-2-morpholin-3-ylphenol
SMILESOc1cc(F)c(F)cc1C1COCCN1
InChIInChI=1S/C10H11F2NO2/c11-7-3-6(10(14)4-8(7)12)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2
InChIKeyKPGALDJDMABMDD-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.33
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-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
5-chloro-2-morpholin-3-ylphenol
CID 82613253
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
CID 131514862
4-amino-2-[(3R)-morpholin-3-yl]phenol
CID 131097023
2-fluoro-4-[(3R)-morpholin-3-yl]phenol
CID 96758561
2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
CID 171259740
2-morpholin-3-ylphenol
CID 55294349
(3R)-3-(2,3,5-trifluorophenyl)morpholine
CID 131262758
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-morpholin-3-ylphenol?
The IUPAC name of 4,5-difluoro-2-morpholin-3-ylphenol (CID 84783766) is 4,5-difluoro-2-morpholin-3-ylphenol.
What is the SMILES notation for 4,5-difluoro-2-morpholin-3-ylphenol?
The canonical SMILES for 4,5-difluoro-2-morpholin-3-ylphenol is Oc1cc(F)c(F)cc1C1COCCN1.
What is the InChIKey of 4,5-difluoro-2-morpholin-3-ylphenol?
The InChIKey is KPGALDJDMABMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c11-7-3-6(10(14)4-8(7)12)9-5-15-2-1-13-9/h3-4,9,13-14H,1-2,5H2.
What are the key properties of 4,5-difluoro-2-morpholin-3-ylphenol?
4,5-difluoro-2-morpholin-3-ylphenol has a molecular weight of 215.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-morpholin-3-ylphenol is sourced from PubChem (CID 84783766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).