1-bromo-3-cyclohexyloxy-5-fluorobenzene

C12H14BrFO — CID 81332187

IUPAC1-bromo-3-cyclohexyloxy-5-fluorobenzene
SMILESFc1cc(Br)cc(OC2CCCCC2)c1
InChIInChI=1S/C12H14BrFO/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h6-8,11H,1-5H2
InChIKeyINESQYLSIHZOAH-UHFFFAOYSA-N
MW273.14 g/mol
LogP4.30
Rot. Bonds2

About 1-bromo-3-cyclohexyloxy-5-fluorobenzene

1-bromo-3-cyclohexyloxy-5-fluorobenzene (PubChem CID 81332187) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-bromo-3-cyclohexyloxy-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-cyclohexyloxy-5-fluorobenzene
PubChem CID81332187
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name1-bromo-3-cyclohexyloxy-5-fluorobenzene
SMILESFc1cc(Br)cc(OC2CCCCC2)c1
InChIInChI=1S/C12H14BrFO/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h6-8,11H,1-5H2
InChIKeyINESQYLSIHZOAH-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromo-5-fluorophenoxy)piperidine
CID 81332214
1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
CID 114620042
1-bromo-3-fluoro-5-(3-methylsulfonylcyclohexyl)oxybenzene
CID 81332358
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
CID 102732659
trans-(1R,2R)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
CID 102732660
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
CID 102735545
1-bromo-3-cyclopentyloxy-5-methylbenzene
CID 82184335
3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide
CID 81331541
1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene
CID 167514172
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
(3-cyclopentyloxy-5-fluorophenyl)boronic acid
CID 81332075
(3-bromo-5-fluorophenyl) cyclohexanecarboxylate
CID 137371569

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclohexyloxy-5-fluorobenzene?
The IUPAC name of 1-bromo-3-cyclohexyloxy-5-fluorobenzene (CID 81332187) is 1-bromo-3-cyclohexyloxy-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-cyclohexyloxy-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-cyclohexyloxy-5-fluorobenzene is Fc1cc(Br)cc(OC2CCCCC2)c1.
What is the InChIKey of 1-bromo-3-cyclohexyloxy-5-fluorobenzene?
The InChIKey is INESQYLSIHZOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h6-8,11H,1-5H2.
What are the key properties of 1-bromo-3-cyclohexyloxy-5-fluorobenzene?
1-bromo-3-cyclohexyloxy-5-fluorobenzene has a molecular weight of 273.14 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclohexyloxy-5-fluorobenzene is sourced from PubChem (CID 81332187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).