1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane

C11H18BrF — CID 58526771

IUPAC1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane
SMILESCCCC1CCC(/C=C(\F)Br)CC1
InChIInChI=1S/C11H18BrF/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h8-10H,2-7H2,1H3/b11-8-
InChIKeyBGYXGNHVTJVVQR-FLIBITNWSA-N
MW249.17 g/mol
LogP4.80
Rot. Bonds3

About 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane

1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane (PubChem CID 58526771) has the molecular formula C11H18BrF and a molecular weight of 249.17 g/mol. Its IUPAC name is 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane.

Molecular Properties

Compound Name1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane
PubChem CID58526771
Molecular FormulaC11H18BrF
Molecular Weight249.17 g/mol
Exact Mass248.06
IUPAC Name1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane
SMILESCCCC1CCC(/C=C(\F)Br)CC1
InChIInChI=1S/C11H18BrF/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h8-10H,2-7H2,1H3/b11-8-
InChIKeyBGYXGNHVTJVVQR-FLIBITNWSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane?
The IUPAC name of 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane (CID 58526771) is 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane.
What is the SMILES notation for 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane?
The canonical SMILES for 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane is CCCC1CCC(/C=C(\F)Br)CC1.
What is the InChIKey of 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane?
The InChIKey is BGYXGNHVTJVVQR-FLIBITNWSA-N. The full InChI is InChI=1S/C11H18BrF/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h8-10H,2-7H2,1H3/b11-8-.
What are the key properties of 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane?
1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane has a molecular weight of 249.17 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane is sourced from PubChem (CID 58526771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).