methyl 2-fluoro-4-prop-1-en-2-ylbenzoate

C11H11FO2 — CID 171572331

IUPACmethyl 2-fluoro-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccc(C(=O)OC)c(F)c1
InChIInChI=1S/C11H11FO2/c1-7(2)8-4-5-9(10(12)6-8)11(13)14-3/h4-6H,1H2,2-3H3
InChIKeyOJZQZMNWJXTHKV-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.65
Rot. Bonds2

About methyl 2-fluoro-4-prop-1-en-2-ylbenzoate

methyl 2-fluoro-4-prop-1-en-2-ylbenzoate (PubChem CID 171572331) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is methyl 2-fluoro-4-prop-1-en-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-prop-1-en-2-ylbenzoate
PubChem CID171572331
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Namemethyl 2-fluoro-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccc(C(=O)OC)c(F)c1
InChIInChI=1S/C11H11FO2/c1-7(2)8-4-5-9(10(12)6-8)11(13)14-3/h4-6H,1H2,2-3H3
InChIKeyOJZQZMNWJXTHKV-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-fluoro-4-prop-1-en-2-ylbenzoate 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

methyl 3-fluoro-4-prop-1-en-2-ylbenzoate
CID 118196123
methyl 4-(C-chloro-N-hydroxycarbonimidoyl)-2-fluorobenzoate
CID 87481862
methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 135239958
methyl 3-fluoro-4-[(E)-N-methoxy-C-methylcarbonimidoyl]benzoate
CID 135057467
2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
2-(4-fluoro-3-methoxycarbonylphenyl)prop-2-enoic acid
CID 175964805
CID 66666881
CID 66666881
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate
CID 169443654
methyl 2-fluoro-6-prop-1-en-2-ylpyridine-3-carboxylate
CID 176931220
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate
CID 141177939
methyl 3-prop-1-en-2-yl-4-(trifluoromethyl)benzoate
CID 58020795

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-prop-1-en-2-ylbenzoate?
The IUPAC name of methyl 2-fluoro-4-prop-1-en-2-ylbenzoate (CID 171572331) is methyl 2-fluoro-4-prop-1-en-2-ylbenzoate.
What is the SMILES notation for methyl 2-fluoro-4-prop-1-en-2-ylbenzoate?
The canonical SMILES for methyl 2-fluoro-4-prop-1-en-2-ylbenzoate is C=C(C)c1ccc(C(=O)OC)c(F)c1.
What is the InChIKey of methyl 2-fluoro-4-prop-1-en-2-ylbenzoate?
The InChIKey is OJZQZMNWJXTHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7(2)8-4-5-9(10(12)6-8)11(13)14-3/h4-6H,1H2,2-3H3.
What are the key properties of methyl 2-fluoro-4-prop-1-en-2-ylbenzoate?
methyl 2-fluoro-4-prop-1-en-2-ylbenzoate has a molecular weight of 194.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-prop-1-en-2-ylbenzoate is sourced from PubChem (CID 171572331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).