4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine

C13H17BrFNO — CID 170869529

IUPAC4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine
SMILESFc1cc(CCCN2CCOCC2)ccc1Br
InChIInChI=1S/C13H17BrFNO/c14-12-4-3-11(10-13(12)15)2-1-5-16-6-8-17-9-7-16/h3-4,10H,1-2,5-9H2
InChIKeyOTSCTTXFAFOWDR-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.85
Rot. Bonds4

About 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine

4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine (PubChem CID 170869529) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine
PubChem CID170869529
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine
SMILESFc1cc(CCCN2CCOCC2)ccc1Br
InChIInChI=1S/C13H17BrFNO/c14-12-4-3-11(10-13(12)15)2-1-5-16-6-8-17-9-7-16/h3-4,10H,1-2,5-9H2
InChIKeyOTSCTTXFAFOWDR-UHFFFAOYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine?
The IUPAC name of 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine (CID 170869529) is 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine is Fc1cc(CCCN2CCOCC2)ccc1Br.
What is the InChIKey of 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine?
The InChIKey is OTSCTTXFAFOWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-12-4-3-11(10-13(12)15)2-1-5-16-6-8-17-9-7-16/h3-4,10H,1-2,5-9H2.
What are the key properties of 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine?
4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine has a molecular weight of 302.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-3-fluorophenyl)propyl]morpholine is sourced from PubChem (CID 170869529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).