[(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane

C9H14BrF — CID 102342738

IUPAC[(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane
SMILESF/C(=C\Br)CC1CCCCC1
InChIInChI=1S/C9H14BrF/c10-7-9(11)6-8-4-2-1-3-5-8/h7-8H,1-6H2/b9-7-
InChIKeyVDROSEOWYXNEEK-CLFYSBASSA-N
MW221.11 g/mol
LogP4.16
Rot. Bonds2

About [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane

[(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane (PubChem CID 102342738) has the molecular formula C9H14BrF and a molecular weight of 221.11 g/mol. Its IUPAC name is [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane
PubChem CID102342738
Molecular FormulaC9H14BrF
Molecular Weight221.11 g/mol
Exact Mass220.03
IUPAC Name[(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane
SMILESF/C(=C\Br)CC1CCCCC1
InChIInChI=1S/C9H14BrF/c10-7-9(11)6-8-4-2-1-3-5-8/h7-8H,1-6H2/b9-7-
InChIKeyVDROSEOWYXNEEK-CLFYSBASSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane?
The IUPAC name of [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane (CID 102342738) is [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane.
What is the SMILES notation for [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane?
The canonical SMILES for [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane is F/C(=C\Br)CC1CCCCC1.
What is the InChIKey of [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane?
The InChIKey is VDROSEOWYXNEEK-CLFYSBASSA-N. The full InChI is InChI=1S/C9H14BrF/c10-7-9(11)6-8-4-2-1-3-5-8/h7-8H,1-6H2/b9-7-.
What are the key properties of [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane?
[(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane has a molecular weight of 221.11 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-bromo-2-fluoroprop-2-enyl]cyclohexane is sourced from PubChem (CID 102342738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).