1-bromo-3-fluorobenzene;methoxycyclopentane

C12H16BrFO — CID 175263771

IUPAC1-bromo-3-fluorobenzene;methoxycyclopentane
SMILESCOC1CCCC1.Fc1cccc(Br)c1
InChIInChI=1S/C6H4BrF.C6H12O/c7-5-2-1-3-6(8)4-5;1-7-6-4-2-3-5-6/h1-4H;6H,2-5H2,1H3
InChIKeyUEZAGVMQRTZAHY-UHFFFAOYSA-N
MW275.16 g/mol
LogP4.16
Rot. Bonds1

About 1-bromo-3-fluorobenzene;methoxycyclopentane

1-bromo-3-fluorobenzene;methoxycyclopentane (PubChem CID 175263771) has the molecular formula C12H16BrFO and a molecular weight of 275.16 g/mol. Its IUPAC name is 1-bromo-3-fluorobenzene;methoxycyclopentane.

Molecular Properties

Compound Name1-bromo-3-fluorobenzene;methoxycyclopentane
PubChem CID175263771
Molecular FormulaC12H16BrFO
Molecular Weight275.16 g/mol
Exact Mass274.04
IUPAC Name1-bromo-3-fluorobenzene;methoxycyclopentane
SMILESCOC1CCCC1.Fc1cccc(Br)c1
InChIInChI=1S/C6H4BrF.C6H12O/c7-5-2-1-3-6(8)4-5;1-7-6-4-2-3-5-6/h1-4H;6H,2-5H2,1H3
InChIKeyUEZAGVMQRTZAHY-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluorobenzene;methoxycyclopentane?
The IUPAC name of 1-bromo-3-fluorobenzene;methoxycyclopentane (CID 175263771) is 1-bromo-3-fluorobenzene;methoxycyclopentane.
What is the SMILES notation for 1-bromo-3-fluorobenzene;methoxycyclopentane?
The canonical SMILES for 1-bromo-3-fluorobenzene;methoxycyclopentane is COC1CCCC1.Fc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-fluorobenzene;methoxycyclopentane?
The InChIKey is UEZAGVMQRTZAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF.C6H12O/c7-5-2-1-3-6(8)4-5;1-7-6-4-2-3-5-6/h1-4H;6H,2-5H2,1H3.
What are the key properties of 1-bromo-3-fluorobenzene;methoxycyclopentane?
1-bromo-3-fluorobenzene;methoxycyclopentane has a molecular weight of 275.16 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluorobenzene;methoxycyclopentane is sourced from PubChem (CID 175263771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).