1-bromo-3-[(4-fluorophenoxy)methyl]benzene

C13H10BrFO — CID 60643983

IUPAC1-bromo-3-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C13H10BrFO/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8H,9H2
InChIKeySIMWHUMRFKHJCZ-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.17
Rot. Bonds3

About 1-bromo-3-[(4-fluorophenoxy)methyl]benzene

1-bromo-3-[(4-fluorophenoxy)methyl]benzene (PubChem CID 60643983) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 1-bromo-3-[(4-fluorophenoxy)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(4-fluorophenoxy)methyl]benzene
PubChem CID60643983
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name1-bromo-3-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C13H10BrFO/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8H,9H2
InChIKeySIMWHUMRFKHJCZ-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-fluorophenoxy)methyl]benzene?
The IUPAC name of 1-bromo-3-[(4-fluorophenoxy)methyl]benzene (CID 60643983) is 1-bromo-3-[(4-fluorophenoxy)methyl]benzene.
What is the SMILES notation for 1-bromo-3-[(4-fluorophenoxy)methyl]benzene?
The canonical SMILES for 1-bromo-3-[(4-fluorophenoxy)methyl]benzene is Fc1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[(4-fluorophenoxy)methyl]benzene?
The InChIKey is SIMWHUMRFKHJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-8H,9H2.
What are the key properties of 1-bromo-3-[(4-fluorophenoxy)methyl]benzene?
1-bromo-3-[(4-fluorophenoxy)methyl]benzene has a molecular weight of 281.12 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(4-fluorophenoxy)methyl]benzene is sourced from PubChem (CID 60643983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).