4-bromo-2-cyclohexyloxy-1-fluorobenzene

C12H14BrFO — CID 114672606

IUPAC4-bromo-2-cyclohexyloxy-1-fluorobenzene
SMILESFc1ccc(Br)cc1OC1CCCCC1
InChIInChI=1S/C12H14BrFO/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyFGEBUZDSYGPWNR-UHFFFAOYSA-N
MW273.14 g/mol
LogP4.30
Rot. Bonds2

About 4-bromo-2-cyclohexyloxy-1-fluorobenzene

4-bromo-2-cyclohexyloxy-1-fluorobenzene (PubChem CID 114672606) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 4-bromo-2-cyclohexyloxy-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-cyclohexyloxy-1-fluorobenzene
PubChem CID114672606
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name4-bromo-2-cyclohexyloxy-1-fluorobenzene
SMILESFc1ccc(Br)cc1OC1CCCCC1
InChIInChI=1S/C12H14BrFO/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyFGEBUZDSYGPWNR-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

2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
(3-cycloheptyloxy-4-fluorophenyl)boronic acid
CID 114674835
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
4-bromo-2-cyclohexyloxy-1-[(2-methylpropan-2-yl)oxy]benzene
CID 118986735
1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
CID 155346993
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene
CID 166147902
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclohexyloxy-1-fluorobenzene?
The IUPAC name of 4-bromo-2-cyclohexyloxy-1-fluorobenzene (CID 114672606) is 4-bromo-2-cyclohexyloxy-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-cyclohexyloxy-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-cyclohexyloxy-1-fluorobenzene is Fc1ccc(Br)cc1OC1CCCCC1.
What is the InChIKey of 4-bromo-2-cyclohexyloxy-1-fluorobenzene?
The InChIKey is FGEBUZDSYGPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of 4-bromo-2-cyclohexyloxy-1-fluorobenzene?
4-bromo-2-cyclohexyloxy-1-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 4-bromo-2-cyclohexyloxy-1-fluorobenzene is sourced from PubChem (CID 114672606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).