(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one

C17H14F2O — CID 102288394

IUPAC(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one
SMILESO=C(/C=C/c1cccc(F)c1)CCc1cccc(F)c1
InChIInChI=1S/C17H14F2O/c18-15-5-1-3-13(11-15)7-9-17(20)10-8-14-4-2-6-16(19)12-14/h1-7,9,11-12H,8,10H2/b9-7+
InChIKeyMLANDRSJISLXBL-VQHVLOKHSA-N
MW272.29 g/mol
LogP4.18
Rot. Bonds5

About (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one

(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one (PubChem CID 102288394) has the molecular formula C17H14F2O and a molecular weight of 272.29 g/mol. Its IUPAC name is (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one.

Molecular Properties

Compound Name(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one
PubChem CID102288394
Molecular FormulaC17H14F2O
Molecular Weight272.29 g/mol
Exact Mass272.10
IUPAC Name(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one
SMILESO=C(/C=C/c1cccc(F)c1)CCc1cccc(F)c1
InChIInChI=1S/C17H14F2O/c18-15-5-1-3-13(11-15)7-9-17(20)10-8-14-4-2-6-16(19)12-14/h1-7,9,11-12H,8,10H2/b9-7+
InChIKeyMLANDRSJISLXBL-VQHVLOKHSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 54.18
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

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N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
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1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
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CID 32577096

Frequently Asked Questions

What is the IUPAC name of (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one?
The IUPAC name of (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one (CID 102288394) is (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one.
What is the SMILES notation for (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one?
The canonical SMILES for (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one is O=C(/C=C/c1cccc(F)c1)CCc1cccc(F)c1.
What is the InChIKey of (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one?
The InChIKey is MLANDRSJISLXBL-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H14F2O/c18-15-5-1-3-13(11-15)7-9-17(20)10-8-14-4-2-6-16(19)12-14/h1-7,9,11-12H,8,10H2/b9-7+.
What are the key properties of (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one?
(E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one has a molecular weight of 272.29 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-bis(3-fluorophenyl)pent-1-en-3-one is sourced from PubChem (CID 102288394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).