4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine

C13H15BrFNO — CID 87465392

IUPAC4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine
SMILESF/C(Br)=C/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H15BrFNO/c14-13(15)9-11-1-3-12(4-2-11)10-16-5-7-17-8-6-16/h1-4,9H,5-8,10H2/b13-9+
InChIKeyVIVSIXPLUHRAHU-UKTHLTGXSA-N
MW300.17 g/mol
LogP3.18
Rot. Bonds3

About 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine

4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine (PubChem CID 87465392) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine
PubChem CID87465392
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine
SMILESF/C(Br)=C/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H15BrFNO/c14-13(15)9-11-1-3-12(4-2-11)10-16-5-7-17-8-6-16/h1-4,9H,5-8,10H2/b13-9+
InChIKeyVIVSIXPLUHRAHU-UKTHLTGXSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59417267
4-[2-fluoro-4-[4-(morpholin-4-ylmethyl)phenyl]but-1-en-3-ynyl]benzoic acid
CID 86643765
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
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CID 66734464
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
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4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine (CID 87465392) is 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine is F/C(Br)=C/c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine?
The InChIKey is VIVSIXPLUHRAHU-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-13(15)9-11-1-3-12(4-2-11)10-16-5-7-17-8-6-16/h1-4,9H,5-8,10H2/b13-9+.
What are the key properties of 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine?
4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine has a molecular weight of 300.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine is sourced from PubChem (CID 87465392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).