5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene

C13H17F — CID 174603908

IUPAC5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CC(=C2CCCCC2)C1F
InChIInChI=1S/C13H17F/c1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyVZKKGZGDLQUSRK-UHFFFAOYSA-N
MW192.28 g/mol
LogP4.10
Rot. Bonds

About 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene

5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene (PubChem CID 174603908) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene
PubChem CID174603908
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene
SMILESCC1=CC=CC(=C2CCCCC2)C1F
InChIInChI=1S/C13H17F/c1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11/h5-6,9,13H,2-4,7-8H2,1H3
InChIKeyVZKKGZGDLQUSRK-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene?
The IUPAC name of 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene (CID 174603908) is 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene is CC1=CC=CC(=C2CCCCC2)C1F.
What is the InChIKey of 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene?
The InChIKey is VZKKGZGDLQUSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11/h5-6,9,13H,2-4,7-8H2,1H3.
What are the key properties of 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene?
5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene has a molecular weight of 192.28 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylidene-6-fluoro-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 174603908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).