1-[bromo(fluoro)methylidene]-4-ethylcyclohexane

C9H14BrF — CID 165463466

IUPAC1-[bromo(fluoro)methylidene]-4-ethylcyclohexane
SMILESCCC1CCC(=C(F)Br)CC1
InChIInChI=1S/C9H14BrF/c1-2-7-3-5-8(6-4-7)9(10)11/h7H,2-6H2,1H3/b9-8-
InChIKeyWTNGOBOJPJOXLH-HJWRWDBZSA-N
MW221.11 g/mol
LogP4.16
Rot. Bonds1

About 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane

1-[bromo(fluoro)methylidene]-4-ethylcyclohexane (PubChem CID 165463466) has the molecular formula C9H14BrF and a molecular weight of 221.11 g/mol. Its IUPAC name is 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane.

Molecular Properties

Compound Name1-[bromo(fluoro)methylidene]-4-ethylcyclohexane
PubChem CID165463466
Molecular FormulaC9H14BrF
Molecular Weight221.11 g/mol
Exact Mass220.03
IUPAC Name1-[bromo(fluoro)methylidene]-4-ethylcyclohexane
SMILESCCC1CCC(=C(F)Br)CC1
InChIInChI=1S/C9H14BrF/c1-2-7-3-5-8(6-4-7)9(10)11/h7H,2-6H2,1H3/b9-8-
InChIKeyWTNGOBOJPJOXLH-HJWRWDBZSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane?
The IUPAC name of 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane (CID 165463466) is 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane.
What is the SMILES notation for 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane?
The canonical SMILES for 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane is CCC1CCC(=C(F)Br)CC1.
What is the InChIKey of 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane?
The InChIKey is WTNGOBOJPJOXLH-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H14BrF/c1-2-7-3-5-8(6-4-7)9(10)11/h7H,2-6H2,1H3/b9-8-.
What are the key properties of 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane?
1-[bromo(fluoro)methylidene]-4-ethylcyclohexane has a molecular weight of 221.11 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(fluoro)methylidene]-4-ethylcyclohexane is sourced from PubChem (CID 165463466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).