(5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one

C13H17FO — CID 145374162

IUPAC(5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one
SMILESCC/C=C\CCC/C=C1\CC=C(F)C1=O
InChIInChI=1S/C13H17FO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13(11)15/h3-4,8,10H,2,5-7,9H2,1H3/b4-3-,11-8+
InChIKeyTZFAXTAEBNJDMK-PRTWDDKSSA-N
MW208.28 g/mol
LogP3.88
Rot. Bonds5

About (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one

(5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one (PubChem CID 145374162) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one
PubChem CID145374162
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name(5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one
SMILESCC/C=C\CCC/C=C1\CC=C(F)C1=O
InChIInChI=1S/C13H17FO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13(11)15/h3-4,8,10H,2,5-7,9H2,1H3/b4-3-,11-8+
InChIKeyTZFAXTAEBNJDMK-PRTWDDKSSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.88
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Hexylidenecyclopentanone
CID 6385721
2-Methyl-2-cyclopenten-1-one
CID 14266
Ipsdienone
CID 6430826
4,6,10-Dodecatrien-3-one, 7,11-dimethyl-
CID 94373
Geranylbenzoquinone
CID 5281739
4-Methyl-4E-hepten-3-one
CID 5362893
2-Propylidenecyclopentan-1-one
CID 6365435
2-Pentylidenecyclopentanone
CID 86000
Cyclopentanone, 2-butylidene-
CID 85999
2-Prenyl-1,4-benzoquinone
CID 276202
2-Methyl-2-hepten-4-one
CID 31138
Ethyl-1,4-benzoquinone
CID 78494

Frequently Asked Questions

What is the IUPAC name of (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one?
The IUPAC name of (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one (CID 145374162) is (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one.
What is the SMILES notation for (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one?
The canonical SMILES for (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one is CC/C=C\CCC/C=C1\CC=C(F)C1=O.
What is the InChIKey of (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one?
The InChIKey is TZFAXTAEBNJDMK-PRTWDDKSSA-N. The full InChI is InChI=1S/C13H17FO/c1-2-3-4-5-6-7-8-11-9-10-12(14)13(11)15/h3-4,8,10H,2,5-7,9H2,1H3/b4-3-,11-8+.
What are the key properties of (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one?
(5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one has a molecular weight of 208.28 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-fluoro-5-[(Z)-oct-5-enylidene]cyclopent-2-en-1-one is sourced from PubChem (CID 145374162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).