1-bromo-4-cyclohexyl-2-fluorobenzene

C12H14BrF — CID 56992672

IUPAC1-bromo-4-cyclohexyl-2-fluorobenzene
SMILESFc1cc(C2CCCCC2)ccc1Br
InChIInChI=1S/C12H14BrF/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyYWLMVQKHBIGESS-UHFFFAOYSA-N
MW257.15 g/mol
LogP4.64
Rot. Bonds1

About 1-bromo-4-cyclohexyl-2-fluorobenzene

1-bromo-4-cyclohexyl-2-fluorobenzene (PubChem CID 56992672) has the molecular formula C12H14BrF and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-bromo-4-cyclohexyl-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-cyclohexyl-2-fluorobenzene
PubChem CID56992672
Molecular FormulaC12H14BrF
Molecular Weight257.15 g/mol
Exact Mass256.03
IUPAC Name1-bromo-4-cyclohexyl-2-fluorobenzene
SMILESFc1cc(C2CCCCC2)ccc1Br
InChIInChI=1S/C12H14BrF/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyYWLMVQKHBIGESS-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclohexyl-2-fluorobenzene?
The IUPAC name of 1-bromo-4-cyclohexyl-2-fluorobenzene (CID 56992672) is 1-bromo-4-cyclohexyl-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-cyclohexyl-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-cyclohexyl-2-fluorobenzene is Fc1cc(C2CCCCC2)ccc1Br.
What is the InChIKey of 1-bromo-4-cyclohexyl-2-fluorobenzene?
The InChIKey is YWLMVQKHBIGESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 1-bromo-4-cyclohexyl-2-fluorobenzene?
1-bromo-4-cyclohexyl-2-fluorobenzene has a molecular weight of 257.15 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclohexyl-2-fluorobenzene is sourced from PubChem (CID 56992672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).