2-(4-bromo-2-chloro-3-fluorophenyl)morpholine

C10H10BrClFNO — CID 117475166

IUPAC2-(4-bromo-2-chloro-3-fluorophenyl)morpholine
SMILESFc1c(Br)ccc(C2CNCCO2)c1Cl
InChIInChI=1S/C10H10BrClFNO/c11-7-2-1-6(9(12)10(7)13)8-5-14-3-4-15-8/h1-2,8,14H,3-5H2
InChIKeyGTXJGXDILPGGGP-UHFFFAOYSA-N
MW294.55 g/mol
LogP2.90
Rot. Bonds1

About 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine

2-(4-bromo-2-chloro-3-fluorophenyl)morpholine (PubChem CID 117475166) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-3-fluorophenyl)morpholine
PubChem CID117475166
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name2-(4-bromo-2-chloro-3-fluorophenyl)morpholine
SMILESFc1c(Br)ccc(C2CNCCO2)c1Cl
InChIInChI=1S/C10H10BrClFNO/c11-7-2-1-6(9(12)10(7)13)8-5-14-3-4-15-8/h1-2,8,14H,3-5H2
InChIKeyGTXJGXDILPGGGP-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
2-chloro-3-fluoro-4-morpholin-2-ylphenol
CID 117335357
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-(2-chloro-3,6-difluorophenyl)morpholine
CID 117339537
4-bromo-3-morpholin-2-ylphenol
CID 83732516
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
3-bromo-4-morpholin-2-ylphenol
CID 82623544
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-(4-chloro-1H-indol-5-yl)morpholine
CID 115004267

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine?
The IUPAC name of 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine (CID 117475166) is 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine.
What is the SMILES notation for 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine?
The canonical SMILES for 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine is Fc1c(Br)ccc(C2CNCCO2)c1Cl.
What is the InChIKey of 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine?
The InChIKey is GTXJGXDILPGGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c11-7-2-1-6(9(12)10(7)13)8-5-14-3-4-15-8/h1-2,8,14H,3-5H2.
What are the key properties of 2-(4-bromo-2-chloro-3-fluorophenyl)morpholine?
2-(4-bromo-2-chloro-3-fluorophenyl)morpholine has a molecular weight of 294.55 g/mol, XLogP of 2.90, 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-chloro-3-fluorophenyl)morpholine is sourced from PubChem (CID 117475166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).