5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid

C13H11FO4 — CID 63933619

IUPAC5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COCc2ccccc2F)o1
InChIInChI=1S/C13H11FO4/c14-11-4-2-1-3-9(11)7-17-8-10-5-6-12(18-10)13(15)16/h1-6H,7-8H2,(H,15,16)
InChIKeyMVZVUBBWUCEZOO-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.83
Rot. Bonds5

About 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid

5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid (PubChem CID 63933619) has the molecular formula C13H11FO4 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid
PubChem CID63933619
Molecular FormulaC13H11FO4
Molecular Weight250.23 g/mol
Exact Mass250.06
IUPAC Name5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COCc2ccccc2F)o1
InChIInChI=1S/C13H11FO4/c14-11-4-2-1-3-9(11)7-17-8-10-5-6-12(18-10)13(15)16/h1-6H,7-8H2,(H,15,16)
InChIKeyMVZVUBBWUCEZOO-UHFFFAOYSA-N
XLogP2.83
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]ethanamine
CID 63935555
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167909565
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750343
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025
5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
CID 21387582
5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-carboxylic acid
CID 112586962
5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 23148945

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid (CID 63933619) is 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid is O=C(O)c1ccc(COCc2ccccc2F)o1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid?
The InChIKey is MVZVUBBWUCEZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO4/c14-11-4-2-1-3-9(11)7-17-8-10-5-6-12(18-10)13(15)16/h1-6H,7-8H2,(H,15,16).
What are the key properties of 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid?
5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 63933619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).