6-bromo-3,4-difluoro-2-morpholin-2-ylphenol

C10H10BrF2NO2 — CID 117474310

IUPAC6-bromo-3,4-difluoro-2-morpholin-2-ylphenol
SMILESOc1c(Br)cc(F)c(F)c1C1CNCCO1
InChIInChI=1S/C10H10BrF2NO2/c11-5-3-6(12)9(13)8(10(5)15)7-4-14-1-2-16-7/h3,7,14-15H,1-2,4H2
InChIKeyNKGMFLZCLCPFQG-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.09
Rot. Bonds1

About 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol

6-bromo-3,4-difluoro-2-morpholin-2-ylphenol (PubChem CID 117474310) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol.

Molecular Properties

Compound Name6-bromo-3,4-difluoro-2-morpholin-2-ylphenol
PubChem CID117474310
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Name6-bromo-3,4-difluoro-2-morpholin-2-ylphenol
SMILESOc1c(Br)cc(F)c(F)c1C1CNCCO1
InChIInChI=1S/C10H10BrF2NO2/c11-5-3-6(12)9(13)8(10(5)15)7-4-14-1-2-16-7/h3,7,14-15H,1-2,4H2
InChIKeyNKGMFLZCLCPFQG-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-fluoro-2-methoxy-3-morpholin-2-ylphenol
CID 117491098
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
3,4-difluoro-2-morpholin-2-ylphenol
CID 117306324
3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
CID 115004627
4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
2,5-difluoro-4-morpholin-2-ylphenol
CID 117306323
4-chloro-2-fluoro-6-morpholin-2-ylphenol
CID 117335358
3-fluoro-6-methoxy-2-morpholin-2-ylphenol
CID 117326498
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2-(2-chloro-3,6-difluorophenyl)morpholine
CID 117339537

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol?
The IUPAC name of 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol (CID 117474310) is 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol.
What is the SMILES notation for 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol?
The canonical SMILES for 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol is Oc1c(Br)cc(F)c(F)c1C1CNCCO1.
What is the InChIKey of 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol?
The InChIKey is NKGMFLZCLCPFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c11-5-3-6(12)9(13)8(10(5)15)7-4-14-1-2-16-7/h3,7,14-15H,1-2,4H2.
What are the key properties of 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol?
6-bromo-3,4-difluoro-2-morpholin-2-ylphenol has a molecular weight of 294.10 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-difluoro-2-morpholin-2-ylphenol is sourced from PubChem (CID 117474310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).