1-cyclohexylidene-1-fluoropropan-2-one

C9H13FO — CID 12547222

IUPAC1-cyclohexylidene-1-fluoropropan-2-one
SMILESCC(=O)C(F)=C1CCCCC1
InChIInChI=1S/C9H13FO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKeyTUXIAUIVACGHET-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.76
Rot. Bonds1

About 1-cyclohexylidene-1-fluoropropan-2-one

1-cyclohexylidene-1-fluoropropan-2-one (PubChem CID 12547222) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-cyclohexylidene-1-fluoropropan-2-one.

Molecular Properties

Compound Name1-cyclohexylidene-1-fluoropropan-2-one
PubChem CID12547222
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-cyclohexylidene-1-fluoropropan-2-one
SMILESCC(=O)C(F)=C1CCCCC1
InChIInChI=1S/C9H13FO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKeyTUXIAUIVACGHET-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', '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-fluoropropan-2-one?
The IUPAC name of 1-cyclohexylidene-1-fluoropropan-2-one (CID 12547222) is 1-cyclohexylidene-1-fluoropropan-2-one.
What is the SMILES notation for 1-cyclohexylidene-1-fluoropropan-2-one?
The canonical SMILES for 1-cyclohexylidene-1-fluoropropan-2-one is CC(=O)C(F)=C1CCCCC1.
What is the InChIKey of 1-cyclohexylidene-1-fluoropropan-2-one?
The InChIKey is TUXIAUIVACGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6H2,1H3.
What are the key properties of 1-cyclohexylidene-1-fluoropropan-2-one?
1-cyclohexylidene-1-fluoropropan-2-one has a molecular weight of 156.20 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-1-fluoropropan-2-one is sourced from PubChem (CID 12547222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).