methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate

C11H11FO2 — CID 154711170

IUPACmethyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate
SMILESC/C=C/c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C11H11FO2/c1-3-4-8-7-9(12)5-6-10(8)11(13)14-2/h3-7H,1-2H3/b4-3+
InChIKeyGESAUKBHJZQFAY-ONEGZZNKSA-N
MW194.20 g/mol
LogP2.65
Rot. Bonds2

About methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate

methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate (PubChem CID 154711170) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate
PubChem CID154711170
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Namemethyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate
SMILESC/C=C/c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C11H11FO2/c1-3-4-8-7-9(12)5-6-10(8)11(13)14-2/h3-7H,1-2H3/b4-3+
InChIKeyGESAUKBHJZQFAY-ONEGZZNKSA-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

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methyl 4-fluoro-2-(methoxymethyl)benzoate
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methyl 3-fluorobenzoate
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methyl 4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
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methyl 5-fluoro-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]benzoate
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methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
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methyl 5-fluoro-2-nitrosobenzoate
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methyl 5-fluoro-2-(hydroxymethyl)benzoate
CID 99769873
methyl 2-acetamido-5-fluorobenzoate
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methyl 5-(methanesulfonamido)-2-prop-1-enylbenzoate
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methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate (CID 154711170) is methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate is C/C=C/c1cc(F)ccc1C(=O)OC.
What is the InChIKey of methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate?
The InChIKey is GESAUKBHJZQFAY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H11FO2/c1-3-4-8-7-9(12)5-6-10(8)11(13)14-2/h3-7H,1-2H3/b4-3+.
What are the key properties of methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate?
methyl 4-fluoro-2-[(E)-prop-1-enyl]benzoate 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 4-fluoro-2-[(E)-prop-1-enyl]benzoate is sourced from PubChem (CID 154711170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).