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

C10H8BrF4NO — CID 139264119

IUPAC4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
SMILESFc1c(F)c(N2CCOCC2)c(F)c(F)c1Br
InChIInChI=1S/C10H8BrF4NO/c11-5-6(12)8(14)10(9(15)7(5)13)16-1-3-17-4-2-16/h1-4H2
InChIKeyAHTWXJMVXMMIKE-UHFFFAOYSA-N
MW314.08 g/mol
LogP2.84
Rot. Bonds1

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

4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine (PubChem CID 139264119) has the molecular formula C10H8BrF4NO and a molecular weight of 314.08 g/mol. Its IUPAC name is 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine.

Molecular Properties

Compound Name4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
PubChem CID139264119
Molecular FormulaC10H8BrF4NO
Molecular Weight314.08 g/mol
Exact Mass312.97
IUPAC Name4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
SMILESFc1c(F)c(N2CCOCC2)c(F)c(F)c1Br
InChIInChI=1S/C10H8BrF4NO/c11-5-6(12)8(14)10(9(15)7(5)13)16-1-3-17-4-2-16/h1-4H2
InChIKeyAHTWXJMVXMMIKE-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.08
LogP ≤ 52.84
H-Bond Donors ≤ 50
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Bromophenyl)morpholine
CID 11622851
4-(2,3,5,6-Tetrafluoro-4-iodophenyl)morpholine
CID 11100499
1-(4-Bromo-2,3,5,6-tetrafluorophenyl)piperidine
CID 8143705
4-(Perfluorophenyl)morpholine
CID 13529901
4-(4-Bromo-2-fluorophenyl)morpholine
CID 11379929
4-(2,3,5,6-Tetrafluorophenyl)morpholine
CID 19980959
4-(4-Bromo-3-fluorophenyl)morpholine
CID 21995834
4-(3-Bromo-5-fluorophenyl)morpholine
CID 44627366
4-(5-Bromo-2-fluorophenyl)morpholine
CID 59305364
4-(5-Bromo-2,3-difluorophenyl)morpholine
CID 59588253
4-(4-Bromo-2,6-difluorophenyl)morpholine
CID 66730531
4-(2-Bromo-4-fluorophenyl)morpholine
CID 81615664

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine?
The IUPAC name of 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine (CID 139264119) is 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine.
What is the SMILES notation for 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine?
The canonical SMILES for 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine is Fc1c(F)c(N2CCOCC2)c(F)c(F)c1Br.
What is the InChIKey of 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine?
The InChIKey is AHTWXJMVXMMIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4NO/c11-5-6(12)8(14)10(9(15)7(5)13)16-1-3-17-4-2-16/h1-4H2.
What are the key properties of 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine?
4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine has a molecular weight of 314.08 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine is sourced from PubChem (CID 139264119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).