methyl 2-fluoro-3-propanoylbenzoate

C11H11FO3 — CID 178189126

IUPACmethyl 2-fluoro-3-propanoylbenzoate
SMILESCCC(=O)c1cccc(C(=O)OC)c1F
InChIInChI=1S/C11H11FO3/c1-3-9(13)7-5-4-6-8(10(7)12)11(14)15-2/h4-6H,3H2,1-2H3
InChIKeyFVHGUKOQQSBGAW-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.20
Rot. Bonds3

About methyl 2-fluoro-3-propanoylbenzoate

methyl 2-fluoro-3-propanoylbenzoate (PubChem CID 178189126) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 2-fluoro-3-propanoylbenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-propanoylbenzoate
PubChem CID178189126
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 2-fluoro-3-propanoylbenzoate
SMILESCCC(=O)c1cccc(C(=O)OC)c1F
InChIInChI=1S/C11H11FO3/c1-3-9(13)7-5-4-6-8(10(7)12)11(14)15-2/h4-6H,3H2,1-2H3
InChIKeyFVHGUKOQQSBGAW-UHFFFAOYSA-N
XLogP2.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-propanoylbenzoate
CID 134648415
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
methyl 2-bromo-6-propanoylbenzoate
CID 134649729
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate
CID 19972770
1-(3-fluoro-2-iodophenyl)propan-1-one
CID 118798307
methyl 3-cyano-2-fluorobenzoate
CID 91882344
ethyl 3-(3-bromopropanoyl)-2-fluorobenzoate
CID 134642030
ethyl 2,3-difluorobenzoate
CID 2761174
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-propanoylbenzoate?
The IUPAC name of methyl 2-fluoro-3-propanoylbenzoate (CID 178189126) is methyl 2-fluoro-3-propanoylbenzoate.
What is the SMILES notation for methyl 2-fluoro-3-propanoylbenzoate?
The canonical SMILES for methyl 2-fluoro-3-propanoylbenzoate is CCC(=O)c1cccc(C(=O)OC)c1F.
What is the InChIKey of methyl 2-fluoro-3-propanoylbenzoate?
The InChIKey is FVHGUKOQQSBGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-3-9(13)7-5-4-6-8(10(7)12)11(14)15-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 2-fluoro-3-propanoylbenzoate?
methyl 2-fluoro-3-propanoylbenzoate has a molecular weight of 210.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-propanoylbenzoate is sourced from PubChem (CID 178189126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).