methyl 3-fluoro-4-prop-1-en-2-ylbenzoate

C11H11FO2 — CID 118196123

IUPACmethyl 3-fluoro-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccc(C(=O)OC)cc1F
InChIInChI=1S/C11H11FO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-6H,1H2,2-3H3
InChIKeyUZBJNQBKRMCTQY-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.65
Rot. Bonds2

About methyl 3-fluoro-4-prop-1-en-2-ylbenzoate

methyl 3-fluoro-4-prop-1-en-2-ylbenzoate (PubChem CID 118196123) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is methyl 3-fluoro-4-prop-1-en-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-prop-1-en-2-ylbenzoate
PubChem CID118196123
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Namemethyl 3-fluoro-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1ccc(C(=O)OC)cc1F
InChIInChI=1S/C11H11FO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-6H,1H2,2-3H3
InChIKeyUZBJNQBKRMCTQY-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

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Related Compounds

methyl 2-fluoro-4-prop-1-en-2-ylbenzoate
CID 171572331
methyl 3-fluoro-4-[(E)-N-methoxy-C-methylcarbonimidoyl]benzoate
CID 135057467
methyl 3-prop-1-en-2-yl-4-(trifluoromethyl)benzoate
CID 58020795
methyl 3-methylsulfonyl-4-prop-1-en-2-ylbenzoate
CID 11831969
methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate
CID 167708846
methyl 4-fluoro-3-(2-methylprop-2-enoxy)benzoate
CID 58566490
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 135239958
(2-fluoro-4-methoxycarbonylphenyl)-trimethylazanium
CID 59847662
methyl 4-bromo-3-methylsulfonylbenzoate;methyl 3-methylsulfonyl-4-prop-1-en-2-ylbenzoate
CID 160652663
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
methyl 3-fluoro-4-isocyanobenzoate
CID 55265438

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-prop-1-en-2-ylbenzoate?
The IUPAC name of methyl 3-fluoro-4-prop-1-en-2-ylbenzoate (CID 118196123) is methyl 3-fluoro-4-prop-1-en-2-ylbenzoate.
What is the SMILES notation for methyl 3-fluoro-4-prop-1-en-2-ylbenzoate?
The canonical SMILES for methyl 3-fluoro-4-prop-1-en-2-ylbenzoate is C=C(C)c1ccc(C(=O)OC)cc1F.
What is the InChIKey of methyl 3-fluoro-4-prop-1-en-2-ylbenzoate?
The InChIKey is UZBJNQBKRMCTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-6H,1H2,2-3H3.
What are the key properties of methyl 3-fluoro-4-prop-1-en-2-ylbenzoate?
methyl 3-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 3-fluoro-4-prop-1-en-2-ylbenzoate is sourced from PubChem (CID 118196123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).