1-(4-fluorophenyl)pent-4-en-2-one

C11H11FO — CID 61380162

IUPAC1-(4-fluorophenyl)pent-4-en-2-one
SMILESC=CCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H11FO/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h2,4-7H,1,3,8H2
InChIKeyJGCJOUUAJHCMNW-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-fluorophenyl)pent-4-en-2-one

1-(4-fluorophenyl)pent-4-en-2-one (PubChem CID 61380162) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pent-4-en-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)pent-4-en-2-one
PubChem CID61380162
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name1-(4-fluorophenyl)pent-4-en-2-one
SMILESC=CCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H11FO/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h2,4-7H,1,3,8H2
InChIKeyJGCJOUUAJHCMNW-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)but-3-en-2-one
CID 21099291
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
3-amino-1-(4-fluorophenyl)hex-5-en-2-one
CID 116606869
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802012
1-(4-fluorophenyl)-3-(methylamino)propan-2-one
CID 83636230
1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one
CID 160809452
5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
CID 64565924
1-(4-fluorophenyl)hex-5-yn-2-one
CID 63656703
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482
1-(4-fluorophenyl)-3-(4-methylpentan-2-yloxy)propan-2-one
CID 43799042

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pent-4-en-2-one?
The IUPAC name of 1-(4-fluorophenyl)pent-4-en-2-one (CID 61380162) is 1-(4-fluorophenyl)pent-4-en-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)pent-4-en-2-one?
The canonical SMILES for 1-(4-fluorophenyl)pent-4-en-2-one is C=CCC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)pent-4-en-2-one?
The InChIKey is JGCJOUUAJHCMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h2,4-7H,1,3,8H2.
What are the key properties of 1-(4-fluorophenyl)pent-4-en-2-one?
1-(4-fluorophenyl)pent-4-en-2-one has a molecular weight of 178.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pent-4-en-2-one is sourced from PubChem (CID 61380162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).