2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one

C17H19FO — CID 3636749

IUPAC2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one
SMILESO=C1C(=Cc2ccc(F)cc2)CCC1C1CCCC1
InChIInChI=1S/C17H19FO/c18-15-8-5-12(6-9-15)11-14-7-10-16(17(14)19)13-3-1-2-4-13/h5-6,8-9,11,13,16H,1-4,7,10H2
InChIKeyHHAGVJCSKKNXTJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.38
Rot. Bonds2

About 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one

2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one (PubChem CID 3636749) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one
PubChem CID3636749
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one
SMILESO=C1C(=Cc2ccc(F)cc2)CCC1C1CCCC1
InChIInChI=1S/C17H19FO/c18-15-8-5-12(6-9-15)11-14-7-10-16(17(14)19)13-3-1-2-4-13/h5-6,8-9,11,13,16H,1-4,7,10H2
InChIKeyHHAGVJCSKKNXTJ-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The IUPAC name of 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one (CID 3636749) is 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one is O=C1C(=Cc2ccc(F)cc2)CCC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The InChIKey is HHAGVJCSKKNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c18-15-8-5-12(6-9-15)11-14-7-10-16(17(14)19)13-3-1-2-4-13/h5-6,8-9,11,13,16H,1-4,7,10H2.
What are the key properties of 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one has a molecular weight of 258.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 3636749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).