2-(2,5-diethylphenyl)-6-fluorobenzoic acid

C17H17FO2 — CID 114560395

IUPAC2-(2,5-diethylphenyl)-6-fluorobenzoic acid
SMILESCCc1ccc(CC)c(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C17H17FO2/c1-3-11-8-9-12(4-2)14(10-11)13-6-5-7-15(18)16(13)17(19)20/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyVHAPQYPTPXMRMR-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.32
Rot. Bonds4

About 2-(2,5-diethylphenyl)-6-fluorobenzoic acid

2-(2,5-diethylphenyl)-6-fluorobenzoic acid (PubChem CID 114560395) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(2,5-diethylphenyl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,5-diethylphenyl)-6-fluorobenzoic acid
PubChem CID114560395
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(2,5-diethylphenyl)-6-fluorobenzoic acid
SMILESCCc1ccc(CC)c(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C17H17FO2/c1-3-11-8-9-12(4-2)14(10-11)13-6-5-7-15(18)16(13)17(19)20/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyVHAPQYPTPXMRMR-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethylphenyl)-6-fluorobenzoic acid?
The IUPAC name of 2-(2,5-diethylphenyl)-6-fluorobenzoic acid (CID 114560395) is 2-(2,5-diethylphenyl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(2,5-diethylphenyl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(2,5-diethylphenyl)-6-fluorobenzoic acid is CCc1ccc(CC)c(-c2cccc(F)c2C(=O)O)c1.
What is the InChIKey of 2-(2,5-diethylphenyl)-6-fluorobenzoic acid?
The InChIKey is VHAPQYPTPXMRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-11-8-9-12(4-2)14(10-11)13-6-5-7-15(18)16(13)17(19)20/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,5-diethylphenyl)-6-fluorobenzoic acid?
2-(2,5-diethylphenyl)-6-fluorobenzoic acid has a molecular weight of 272.32 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethylphenyl)-6-fluorobenzoic acid is sourced from PubChem (CID 114560395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).