fluoro 2,3-dimethylbenzoate

C9H9FO2 — CID 174427719

IUPACfluoro 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OF)c1C
InChIInChI=1S/C9H9FO2/c1-6-4-3-5-8(7(6)2)9(11)12-10/h3-5H,1-2H3
InChIKeyLEXRAUYZYIUJQF-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.34
Rot. Bonds1

About fluoro 2,3-dimethylbenzoate

fluoro 2,3-dimethylbenzoate (PubChem CID 174427719) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is fluoro 2,3-dimethylbenzoate.

Molecular Properties

Compound Namefluoro 2,3-dimethylbenzoate
PubChem CID174427719
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Namefluoro 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OF)c1C
InChIInChI=1S/C9H9FO2/c1-6-4-3-5-8(7(6)2)9(11)12-10/h3-5H,1-2H3
InChIKeyLEXRAUYZYIUJQF-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethylsilyl 2,3-dimethylbenzoate
CID 91714654
aminomethyl 2,3-dimethylbenzoate
CID 66871801
3-oxopropyl 2,3-dimethylbenzoate
CID 174643723
2,3-dimethylbenzoyl iodide
CID 87941796
2,3-dimethylbenzamide;ethane
CID 143389789
furan-2-yl 2,3-dimethylbenzoate
CID 175196099
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
CID 87155428
1-(2,3-dimethylphenyl)-2,2,3,3,3-pentafluoropropan-1-one
CID 91656526
fluoro 2-methylsulfonylbenzoate
CID 118224514
[10-(2,3-dimethylbenzoyl)oxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2,3-dimethylbenzoate
CID 166987609
[dibutyl-(2,3-dimethylbenzoyl)oxystannyl] 2,3-dimethylbenzoate
CID 139672402

Frequently Asked Questions

What is the IUPAC name of fluoro 2,3-dimethylbenzoate?
The IUPAC name of fluoro 2,3-dimethylbenzoate (CID 174427719) is fluoro 2,3-dimethylbenzoate.
What is the SMILES notation for fluoro 2,3-dimethylbenzoate?
The canonical SMILES for fluoro 2,3-dimethylbenzoate is Cc1cccc(C(=O)OF)c1C.
What is the InChIKey of fluoro 2,3-dimethylbenzoate?
The InChIKey is LEXRAUYZYIUJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6-4-3-5-8(7(6)2)9(11)12-10/h3-5H,1-2H3.
What are the key properties of fluoro 2,3-dimethylbenzoate?
fluoro 2,3-dimethylbenzoate has a molecular weight of 168.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,3-dimethylbenzoate is sourced from PubChem (CID 174427719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).