4-[(3-bromo-5-fluorophenyl)methyl]morpholine

C11H13BrFNO — CID 79673314

IUPAC4-[(3-bromo-5-fluorophenyl)methyl]morpholine
SMILESFc1cc(Br)cc(CN2CCOCC2)c1
InChIInChI=1S/C11H13BrFNO/c12-10-5-9(6-11(13)7-10)8-14-1-3-15-4-2-14/h5-7H,1-4,8H2
InChIKeyFKTKULKRDZPPBL-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.42
Rot. Bonds2

About 4-[(3-bromo-5-fluorophenyl)methyl]morpholine

4-[(3-bromo-5-fluorophenyl)methyl]morpholine (PubChem CID 79673314) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-[(3-bromo-5-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3-bromo-5-fluorophenyl)methyl]morpholine
PubChem CID79673314
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-[(3-bromo-5-fluorophenyl)methyl]morpholine
SMILESFc1cc(Br)cc(CN2CCOCC2)c1
InChIInChI=1S/C11H13BrFNO/c12-10-5-9(6-11(13)7-10)8-14-1-3-15-4-2-14/h5-7H,1-4,8H2
InChIKeyFKTKULKRDZPPBL-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
4-[(3-bromo-5-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 79706573
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103729099
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylazepane
CID 79706574
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
1-[(3-bromo-5-fluorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926791
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503694

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-fluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(3-bromo-5-fluorophenyl)methyl]morpholine (CID 79673314) is 4-[(3-bromo-5-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3-bromo-5-fluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(3-bromo-5-fluorophenyl)methyl]morpholine is Fc1cc(Br)cc(CN2CCOCC2)c1.
What is the InChIKey of 4-[(3-bromo-5-fluorophenyl)methyl]morpholine?
The InChIKey is FKTKULKRDZPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-5-9(6-11(13)7-10)8-14-1-3-15-4-2-14/h5-7H,1-4,8H2.
What are the key properties of 4-[(3-bromo-5-fluorophenyl)methyl]morpholine?
4-[(3-bromo-5-fluorophenyl)methyl]morpholine has a molecular weight of 274.13 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 79673314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).