1-cyclohexylidene-1-fluorooctan-2-one

C14H23FO — CID 135040078

IUPAC1-cyclohexylidene-1-fluorooctan-2-one
SMILESCCCCCCC(=O)C(F)=C1CCCCC1
InChIInChI=1S/C14H23FO/c1-2-3-4-8-11-13(16)14(15)12-9-6-5-7-10-12/h2-11H2,1H3
InChIKeyYKVWRSPHDCXINJ-UHFFFAOYSA-N
MW226.33 g/mol
LogP4.71
Rot. Bonds6

About 1-cyclohexylidene-1-fluorooctan-2-one

1-cyclohexylidene-1-fluorooctan-2-one (PubChem CID 135040078) has the molecular formula C14H23FO and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-cyclohexylidene-1-fluorooctan-2-one.

Molecular Properties

Compound Name1-cyclohexylidene-1-fluorooctan-2-one
PubChem CID135040078
Molecular FormulaC14H23FO
Molecular Weight226.33 g/mol
Exact Mass226.17
IUPAC Name1-cyclohexylidene-1-fluorooctan-2-one
SMILESCCCCCCC(=O)C(F)=C1CCCCC1
InChIInChI=1S/C14H23FO/c1-2-3-4-8-11-13(16)14(15)12-9-6-5-7-10-12/h2-11H2,1H3
InChIKeyYKVWRSPHDCXINJ-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidene-1-fluorooctan-2-one?
The IUPAC name of 1-cyclohexylidene-1-fluorooctan-2-one (CID 135040078) is 1-cyclohexylidene-1-fluorooctan-2-one.
What is the SMILES notation for 1-cyclohexylidene-1-fluorooctan-2-one?
The canonical SMILES for 1-cyclohexylidene-1-fluorooctan-2-one is CCCCCCC(=O)C(F)=C1CCCCC1.
What is the InChIKey of 1-cyclohexylidene-1-fluorooctan-2-one?
The InChIKey is YKVWRSPHDCXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO/c1-2-3-4-8-11-13(16)14(15)12-9-6-5-7-10-12/h2-11H2,1H3.
What are the key properties of 1-cyclohexylidene-1-fluorooctan-2-one?
1-cyclohexylidene-1-fluorooctan-2-one has a molecular weight of 226.33 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-1-fluorooctan-2-one is sourced from PubChem (CID 135040078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).