(E)-4-fluoro-1-phenylpent-1-en-3-one

C11H11FO — CID 164677372

IUPAC(E)-4-fluoro-1-phenylpent-1-en-3-one
SMILESCC(F)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H11FO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-9H,1H3/b8-7+
InChIKeyUXMKWBVYKJXPAN-BQYQJAHWSA-N
MW178.21 g/mol
LogP2.63
Rot. Bonds3

About (E)-4-fluoro-1-phenylpent-1-en-3-one

(E)-4-fluoro-1-phenylpent-1-en-3-one (PubChem CID 164677372) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is (E)-4-fluoro-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-4-fluoro-1-phenylpent-1-en-3-one
PubChem CID164677372
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name(E)-4-fluoro-1-phenylpent-1-en-3-one
SMILESCC(F)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H11FO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-9H,1H3/b8-7+
InChIKeyUXMKWBVYKJXPAN-BQYQJAHWSA-N
XLogP2.63
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 ≤ 52.63
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

N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide
CID 11680133
iron;2-methanidylpropane;(E)-3-phenylprop-2-enoic acid
CID 87966578
N-fluoro-3-phenyl-N-propan-2-ylprop-2-enamide
CID 54163690
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
difluoromethyl 3-phenylprop-2-enoate
CID 175215356
3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid
CID 91519477
(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
CID 175303406
2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
CID 164898898
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
(E)-4-(4-tert-butylphenyl)-1-phenylpent-1-en-3-one
CID 168866542
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-1-phenylpent-1-en-3-one?
The IUPAC name of (E)-4-fluoro-1-phenylpent-1-en-3-one (CID 164677372) is (E)-4-fluoro-1-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-4-fluoro-1-phenylpent-1-en-3-one?
The canonical SMILES for (E)-4-fluoro-1-phenylpent-1-en-3-one is CC(F)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-4-fluoro-1-phenylpent-1-en-3-one?
The InChIKey is UXMKWBVYKJXPAN-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H11FO/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-9H,1H3/b8-7+.
What are the key properties of (E)-4-fluoro-1-phenylpent-1-en-3-one?
(E)-4-fluoro-1-phenylpent-1-en-3-one has a molecular weight of 178.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-1-phenylpent-1-en-3-one is sourced from PubChem (CID 164677372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).