2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine

C10H8BrF4NO — CID 115111889

IUPAC2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
SMILESFc1c(F)c(C2CNCCO2)c(F)c(F)c1Br
InChIInChI=1S/C10H8BrF4NO/c11-6-9(14)7(12)5(8(13)10(6)15)4-3-16-1-2-17-4/h4,16H,1-3H2
InChIKeyTXTZAZYUWKNDEB-UHFFFAOYSA-N
MW314.08 g/mol
LogP2.67
Rot. Bonds1

About 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine

2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine (PubChem CID 115111889) has the molecular formula C10H8BrF4NO and a molecular weight of 314.08 g/mol. Its IUPAC name is 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine.

Molecular Properties

Compound Name2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
PubChem CID115111889
Molecular FormulaC10H8BrF4NO
Molecular Weight314.08 g/mol
Exact Mass312.97
IUPAC Name2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
SMILESFc1c(F)c(C2CNCCO2)c(F)c(F)c1Br
InChIInChI=1S/C10H8BrF4NO/c11-6-9(14)7(12)5(8(13)10(6)15)4-3-16-1-2-17-4/h4,16H,1-3H2
InChIKeyTXTZAZYUWKNDEB-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.08
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3,4-difluoro-2-morpholin-2-ylphenol
CID 117474310
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2-(2-chloro-3,6-difluorophenyl)morpholine
CID 117339537
3,4-difluoro-2-morpholin-2-ylphenol
CID 117306324
2-(4-bromo-2-chloro-3-fluorophenyl)morpholine
CID 117475166
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
2-(5-bromothiophen-3-yl)morpholine
CID 131207648
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
(2S)-2-(3-bromophenyl)morpholine
CID 28806253

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine?
The IUPAC name of 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine (CID 115111889) is 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine.
What is the SMILES notation for 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine?
The canonical SMILES for 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine is Fc1c(F)c(C2CNCCO2)c(F)c(F)c1Br.
What is the InChIKey of 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine?
The InChIKey is TXTZAZYUWKNDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4NO/c11-6-9(14)7(12)5(8(13)10(6)15)4-3-16-1-2-17-4/h4,16H,1-3H2.
What are the key properties of 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine?
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine has a molecular weight of 314.08 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine is sourced from PubChem (CID 115111889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).