2-(4-methylphenyl)prop-2-enoyl fluoride

C10H9FO — CID 175147814

IUPAC2-(4-methylphenyl)prop-2-enoyl fluoride
SMILESC=C(C(=O)F)c1ccc(C)cc1
InChIInChI=1S/C10H9FO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6H,2H2,1H3
InChIKeyAEGVERLZFDIRND-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.50
Rot. Bonds2

About 2-(4-methylphenyl)prop-2-enoyl fluoride

2-(4-methylphenyl)prop-2-enoyl fluoride (PubChem CID 175147814) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-(4-methylphenyl)prop-2-enoyl fluoride.

Molecular Properties

Compound Name2-(4-methylphenyl)prop-2-enoyl fluoride
PubChem CID175147814
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name2-(4-methylphenyl)prop-2-enoyl fluoride
SMILESC=C(C(=O)F)c1ccc(C)cc1
InChIInChI=1S/C10H9FO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6H,2H2,1H3
InChIKeyAEGVERLZFDIRND-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(4-methylphenyl)prop-2-enoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(4-methylphenyl)prop-2-en-1-one;molecular hydrogen
CID 144635959
N-methoxy-2-(4-methylphenyl)prop-2-enamide
CID 166438497
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
CID 11194655
1-[(3E)-2,4-difluoropenta-1,3-dien-3-yl]-4-methylbenzene
CID 145480529
carbonofluoridoyl 4-methylbenzoate
CID 143461298
N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide
CID 166438086
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
sodium 4-methylbenzoic acid
CID 164511663
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
CID 158355468
CID 158355468

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)prop-2-enoyl fluoride?
The IUPAC name of 2-(4-methylphenyl)prop-2-enoyl fluoride (CID 175147814) is 2-(4-methylphenyl)prop-2-enoyl fluoride.
What is the SMILES notation for 2-(4-methylphenyl)prop-2-enoyl fluoride?
The canonical SMILES for 2-(4-methylphenyl)prop-2-enoyl fluoride is C=C(C(=O)F)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)prop-2-enoyl fluoride?
The InChIKey is AEGVERLZFDIRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6H,2H2,1H3.
What are the key properties of 2-(4-methylphenyl)prop-2-enoyl fluoride?
2-(4-methylphenyl)prop-2-enoyl fluoride has a molecular weight of 164.18 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)prop-2-enoyl fluoride is sourced from PubChem (CID 175147814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).