4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine

C13H16BrF2NO — CID 170870098

IUPAC4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
SMILESFc1c(Br)ccc(CCCN2CCOCC2)c1F
InChIInChI=1S/C13H16BrF2NO/c14-11-4-3-10(12(15)13(11)16)2-1-5-17-6-8-18-9-7-17/h3-4H,1-2,5-9H2
InChIKeyOZRADJCCHYKVNR-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.99
Rot. Bonds4

About 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine

4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine (PubChem CID 170870098) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
PubChem CID170870098
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
SMILESFc1c(Br)ccc(CCCN2CCOCC2)c1F
InChIInChI=1S/C13H16BrF2NO/c14-11-4-3-10(12(15)13(11)16)2-1-5-17-6-8-18-9-7-17/h3-4H,1-2,5-9H2
InChIKeyOZRADJCCHYKVNR-UHFFFAOYSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
CID 170870044
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
CID 170869770
1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine
CID 166651415
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine?
The IUPAC name of 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine (CID 170870098) is 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine is Fc1c(Br)ccc(CCCN2CCOCC2)c1F.
What is the InChIKey of 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine?
The InChIKey is OZRADJCCHYKVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c14-11-4-3-10(12(15)13(11)16)2-1-5-17-6-8-18-9-7-17/h3-4H,1-2,5-9H2.
What are the key properties of 4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine?
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine has a molecular weight of 320.18 g/mol, XLogP of 2.99, 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-2,3-difluorophenyl)propyl]morpholine is sourced from PubChem (CID 170870098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).