methyl 4-fluoro-2,6-dimethylbenzoate

C10H11FO2 — CID 20619434

IUPACmethyl 4-fluoro-2,6-dimethylbenzoate
SMILESCOC(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C10H11FO2/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5H,1-3H3
InChIKeyGFXGMGWQPPNCFM-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.23
Rot. Bonds1

About methyl 4-fluoro-2,6-dimethylbenzoate

methyl 4-fluoro-2,6-dimethylbenzoate (PubChem CID 20619434) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is methyl 4-fluoro-2,6-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2,6-dimethylbenzoate
PubChem CID20619434
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Namemethyl 4-fluoro-2,6-dimethylbenzoate
SMILESCOC(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C10H11FO2/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5H,1-3H3
InChIKeyGFXGMGWQPPNCFM-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2,6-dimethylbenzoate?
The IUPAC name of methyl 4-fluoro-2,6-dimethylbenzoate (CID 20619434) is methyl 4-fluoro-2,6-dimethylbenzoate.
What is the SMILES notation for methyl 4-fluoro-2,6-dimethylbenzoate?
The canonical SMILES for methyl 4-fluoro-2,6-dimethylbenzoate is COC(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of methyl 4-fluoro-2,6-dimethylbenzoate?
The InChIKey is GFXGMGWQPPNCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5H,1-3H3.
What are the key properties of methyl 4-fluoro-2,6-dimethylbenzoate?
methyl 4-fluoro-2,6-dimethylbenzoate has a molecular weight of 182.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2,6-dimethylbenzoate is sourced from PubChem (CID 20619434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).