1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one

C15H10ClFO — CID 84848856

IUPAC1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C15H10ClFO/c16-13-7-3-2-6-12(13)15(18)10-9-11-5-1-4-8-14(11)17/h1-10H
InChIKeyYRFSZKSPANDCEG-UHFFFAOYSA-N
MW260.69 g/mol
LogP4.38
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one

1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one (PubChem CID 84848856) has the molecular formula C15H10ClFO and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
PubChem CID84848856
Molecular FormulaC15H10ClFO
Molecular Weight260.69 g/mol
Exact Mass260.04
IUPAC Name1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C15H10ClFO/c16-13-7-3-2-6-12(13)15(18)10-9-11-5-1-4-8-14(11)17/h1-10H
InChIKeyYRFSZKSPANDCEG-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
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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Related Compounds

(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
(E)-1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 19562946
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(E)-3-(2-fluorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561003
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
(E)-3-(2-fluorophenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 169450958
methyl 2-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 9026728
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-3-(2-tert-butylsulfanylphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 134104600
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 4851047

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one (CID 84848856) is 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one is O=C(C=Cc1ccccc1F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one?
The InChIKey is YRFSZKSPANDCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO/c16-13-7-3-2-6-12(13)15(18)10-9-11-5-1-4-8-14(11)17/h1-10H.
What are the key properties of 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one?
1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one has a molecular weight of 260.69 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 84848856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).