1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene

C12H12BrFO — CID 114620042

IUPAC1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
SMILESFc1cc(Br)cc(OC2C=CCCC2)c1
InChIInChI=1S/C12H12BrFO/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h2,4,6-8,11H,1,3,5H2
InChIKeySJFJUNBVGWLUIP-UHFFFAOYSA-N
MW271.13 g/mol
LogP4.08
Rot. Bonds2

About 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene

1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene (PubChem CID 114620042) has the molecular formula C12H12BrFO and a molecular weight of 271.13 g/mol. Its IUPAC name is 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
PubChem CID114620042
Molecular FormulaC12H12BrFO
Molecular Weight271.13 g/mol
Exact Mass270.01
IUPAC Name1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
SMILESFc1cc(Br)cc(OC2C=CCCC2)c1
InChIInChI=1S/C12H12BrFO/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h2,4,6-8,11H,1,3,5H2
InChIKeySJFJUNBVGWLUIP-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187
1-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
CID 102735545
4-(3-bromo-5-fluorophenoxy)piperidine
CID 81332214
2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine
CID 114620717
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
1-bromo-3-fluoro-5-(3-methylsulfonylcyclohexyl)oxybenzene
CID 81332358
4-cyclohex-2-en-1-yloxy-2-fluoro-1-nitrobenzene
CID 115618739
1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705
4-cyclohex-2-en-1-yloxyaniline
CID 112693108
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene?
The IUPAC name of 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene (CID 114620042) is 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene is Fc1cc(Br)cc(OC2C=CCCC2)c1.
What is the InChIKey of 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene?
The InChIKey is SJFJUNBVGWLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO/c13-9-6-10(14)8-12(7-9)15-11-4-2-1-3-5-11/h2,4,6-8,11H,1,3,5H2.
What are the key properties of 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene?
1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene has a molecular weight of 271.13 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene is sourced from PubChem (CID 114620042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).