1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one

C11H11FO — CID 11194655

IUPAC1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C11H11FO/c1-7-4-5-10(8(2)6-7)11(13)9(3)12/h4-6H,3H2,1-2H3
InChIKeyDWMHVXKKASIVPU-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.97
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one

1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one (PubChem CID 11194655) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
PubChem CID11194655
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C11H11FO/c1-7-4-5-10(8(2)6-7)11(13)9(3)12/h4-6H,3H2,1-2H3
InChIKeyDWMHVXKKASIVPU-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

(2,4-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338550
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185
(2,4-dimethylbenzoyl)-oxophosphanium
CID 151738944
2-(4-methylphenyl)prop-2-enoyl fluoride
CID 175147814
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
CID 168920336
CID 168920336
2-[1-(2,4-dimethylphenyl)ethylidene]propanedioic acid
CID 90311592
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
N-cyclopentyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 82118308
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one (CID 11194655) is 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one is C=C(F)C(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one?
The InChIKey is DWMHVXKKASIVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-7-4-5-10(8(2)6-7)11(13)9(3)12/h4-6H,3H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one?
1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one has a molecular weight of 178.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one is sourced from PubChem (CID 11194655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).