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

C11H11FO — CID 19551234

IUPAC(E)-1-(4-fluorophenyl)pent-2-en-1-one
SMILESCC/C=C/C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h3-8H,2H2,1H3/b4-3+
InChIKeyUEEAJDFOFVGUKI-ONEGZZNKSA-N
MW178.21 g/mol
LogP2.97
Rot. Bonds3

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

(E)-1-(4-fluorophenyl)pent-2-en-1-one (PubChem CID 19551234) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)pent-2-en-1-one
PubChem CID19551234
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name(E)-1-(4-fluorophenyl)pent-2-en-1-one
SMILESCC/C=C/C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h3-8H,2H2,1H3/b4-3+
InChIKeyUEEAJDFOFVGUKI-ONEGZZNKSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.97
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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Related Compounds

(Z)-1-(4-methylphenyl)pent-2-en-1-one
CID 11672749
(Z)-1-phenylpent-2-en-1-one
CID 91998885
1-(4-ethenylphenyl)pent-2-en-1-one
CID 173330480
(E)-6-bromo-1-(4-fluorophenyl)hex-2-en-1-one
CID 164672815
(E)-1-(3-fluoro-4-methoxyphenyl)pent-2-en-1-one
CID 103454138
(E)-1-(4-fluorophenyl)hept-2-en-6-yn-1-one
CID 164672995
[3-(4-fluorophenyl)-3-oxoprop-1-enyl]-tripropylazanium
CID 2780526
(E)-1-(5-fluoro-2-methylphenyl)pent-2-en-1-one
CID 103454335
(E)-1-(4-fluorophenyl)-4-methylpent-2-en-1-one
CID 14300275
(E)-1-(2-fluorophenyl)pent-2-en-1-one
CID 103942635
(Z)-3-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707390
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)pent-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)pent-2-en-1-one (CID 19551234) is (E)-1-(4-fluorophenyl)pent-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)pent-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)pent-2-en-1-one is CC/C=C/C(=O)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)pent-2-en-1-one?
The InChIKey is UEEAJDFOFVGUKI-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H11FO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h3-8H,2H2,1H3/b4-3+.
What are the key properties of (E)-1-(4-fluorophenyl)pent-2-en-1-one?
(E)-1-(4-fluorophenyl)pent-2-en-1-one has a molecular weight of 178.21 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)pent-2-en-1-one is sourced from PubChem (CID 19551234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).