1-bromo-4-cyclopropyloxy-2-fluorobenzene

C9H8BrFO — CID 67987988

IUPAC1-bromo-4-cyclopropyloxy-2-fluorobenzene
SMILESFc1cc(OC2CC2)ccc1Br
InChIInChI=1S/C9H8BrFO/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6H,1-2H2
InChIKeyCISWWHKALFFKPB-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.13
Rot. Bonds2

About 1-bromo-4-cyclopropyloxy-2-fluorobenzene

1-bromo-4-cyclopropyloxy-2-fluorobenzene (PubChem CID 67987988) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 1-bromo-4-cyclopropyloxy-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-cyclopropyloxy-2-fluorobenzene
PubChem CID67987988
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name1-bromo-4-cyclopropyloxy-2-fluorobenzene
SMILESFc1cc(OC2CC2)ccc1Br
InChIInChI=1S/C9H8BrFO/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6H,1-2H2
InChIKeyCISWWHKALFFKPB-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclopropyloxy-2-fluorobenzene?
The IUPAC name of 1-bromo-4-cyclopropyloxy-2-fluorobenzene (CID 67987988) is 1-bromo-4-cyclopropyloxy-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-cyclopropyloxy-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-cyclopropyloxy-2-fluorobenzene is Fc1cc(OC2CC2)ccc1Br.
What is the InChIKey of 1-bromo-4-cyclopropyloxy-2-fluorobenzene?
The InChIKey is CISWWHKALFFKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-8-4-3-7(5-9(8)11)12-6-1-2-6/h3-6H,1-2H2.
What are the key properties of 1-bromo-4-cyclopropyloxy-2-fluorobenzene?
1-bromo-4-cyclopropyloxy-2-fluorobenzene has a molecular weight of 231.06 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclopropyloxy-2-fluorobenzene is sourced from PubChem (CID 67987988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).