2-ethyl-3-fluorobenzoic acid

C9H9FO2 — CID 52911005

IUPAC2-ethyl-3-fluorobenzoic acid
SMILESCCc1c(F)cccc1C(=O)O
InChIInChI=1S/C9H9FO2/c1-2-6-7(9(11)12)4-3-5-8(6)10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyDOKMJODMJAXKHL-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.09
Rot. Bonds2

About 2-ethyl-3-fluorobenzoic acid

2-ethyl-3-fluorobenzoic acid (PubChem CID 52911005) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-ethyl-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-ethyl-3-fluorobenzoic acid
PubChem CID52911005
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-ethyl-3-fluorobenzoic acid
SMILESCCc1c(F)cccc1C(=O)O
InChIInChI=1S/C9H9FO2/c1-2-6-7(9(11)12)4-3-5-8(6)10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyDOKMJODMJAXKHL-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897
3-fluoro-2-(fluoromethyl)benzoic acid
CID 68731679
3-fluoro-2-pentylbenzoic acid
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2-ethyl-3-iodobenzoic acid
CID 22121847
3-borono-2-ethylbenzoic acid
CID 69482595
3-amino-2-ethylbenzoic acid
CID 18185344
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
3-ethenyl-2-ethylbenzoic acid
CID 70289721
3-fluoro-2-[(propan-2-ylideneamino)oxymethyl]benzoic acid
CID 118459567
3-fluoro-2-(phenoxymethyl)benzoic acid
CID 67133785
2-ethyl-3-(ethylcarbamoyl)benzoic acid
CID 169449850

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluorobenzoic acid?
The IUPAC name of 2-ethyl-3-fluorobenzoic acid (CID 52911005) is 2-ethyl-3-fluorobenzoic acid.
What is the SMILES notation for 2-ethyl-3-fluorobenzoic acid?
The canonical SMILES for 2-ethyl-3-fluorobenzoic acid is CCc1c(F)cccc1C(=O)O.
What is the InChIKey of 2-ethyl-3-fluorobenzoic acid?
The InChIKey is DOKMJODMJAXKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-2-6-7(9(11)12)4-3-5-8(6)10/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-3-fluorobenzoic acid?
2-ethyl-3-fluorobenzoic acid has a molecular weight of 168.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluorobenzoic acid is sourced from PubChem (CID 52911005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).