5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid

C13H10F2O4 — CID 62785010

IUPAC5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(COc2cc(F)cc(F)c2)oc1C(=O)O
InChIInChI=1S/C13H10F2O4/c1-7-2-11(19-12(7)13(16)17)6-18-10-4-8(14)3-9(15)5-10/h2-5H,6H2,1H3,(H,16,17)
InChIKeyJEJNHUVDDGIMPH-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.14
Rot. Bonds4

About 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid

5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 62785010) has the molecular formula C13H10F2O4 and a molecular weight of 268.21 g/mol. Its IUPAC name is 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID62785010
Molecular FormulaC13H10F2O4
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(COc2cc(F)cc(F)c2)oc1C(=O)O
InChIInChI=1S/C13H10F2O4/c1-7-2-11(19-12(7)13(16)17)6-18-10-4-8(14)3-9(15)5-10/h2-5H,6H2,1H3,(H,16,17)
InChIKeyJEJNHUVDDGIMPH-UHFFFAOYSA-N
XLogP3.14
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620729
3-methyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxylic acid
CID 103288809
5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620851
5-[(3,4-dichlorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620839
3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 678938
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 61398917
5-[(4-bromo-2-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620804
[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62783793
3-methyl-5-[(2,3,5-trimethylphenoxy)methyl]furan-2-carboxylic acid
CID 43620802
5-[(2,4-dibromophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620837
5-[[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]-3-methylfuran-2-carboxylic acid
CID 75534663
3-methyl-5-(octoxymethyl)furan-2-carboxylic acid
CID 43620815

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid (CID 62785010) is 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(COc2cc(F)cc(F)c2)oc1C(=O)O.
What is the InChIKey of 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is JEJNHUVDDGIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O4/c1-7-2-11(19-12(7)13(16)17)6-18-10-4-8(14)3-9(15)5-10/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid?
5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 268.21 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62785010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).