2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid

C13H15FO4 — CID 107014133

IUPAC2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
SMILESO=C(O)c1c(F)cccc1OCCC1CCCO1
InChIInChI=1S/C13H15FO4/c14-10-4-1-5-11(12(10)13(15)16)18-8-6-9-3-2-7-17-9/h1,4-5,9H,2-3,6-8H2,(H,15,16)
InChIKeyGSHCQMSLQWMSSC-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.47
Rot. Bonds5

About 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid

2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid (PubChem CID 107014133) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
PubChem CID107014133
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
SMILESO=C(O)c1c(F)cccc1OCCC1CCCO1
InChIInChI=1S/C13H15FO4/c14-10-4-1-5-11(12(10)13(15)16)18-8-6-9-3-2-7-17-9/h1,4-5,9H,2-3,6-8H2,(H,15,16)
InChIKeyGSHCQMSLQWMSSC-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-nitro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107341160
2-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 79510932
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
3-methyl-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65158626
4-bromo-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159009
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
2-methylsulfanyl-6-(oxan-2-ylmethoxy)benzoic acid
CID 113386241
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
2-but-3-enoxy-6-fluorobenzoic acid
CID 79511653
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid?
The IUPAC name of 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid (CID 107014133) is 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid is O=C(O)c1c(F)cccc1OCCC1CCCO1.
What is the InChIKey of 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid?
The InChIKey is GSHCQMSLQWMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c14-10-4-1-5-11(12(10)13(15)16)18-8-6-9-3-2-7-17-9/h1,4-5,9H,2-3,6-8H2,(H,15,16).
What are the key properties of 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid?
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid has a molecular weight of 254.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 107014133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).