3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid

C12H8F2O4 — CID 63183787

IUPAC3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(F)c(OCc2ccco2)c(F)c1
InChIInChI=1S/C12H8F2O4/c13-9-4-7(12(15)16)5-10(14)11(9)18-6-8-2-1-3-17-8/h1-5H,6H2,(H,15,16)
InChIKeyMXYGSBHWQSGBEP-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.84
Rot. Bonds4

About 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid

3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid (PubChem CID 63183787) has the molecular formula C12H8F2O4 and a molecular weight of 254.19 g/mol. Its IUPAC name is 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
PubChem CID63183787
Molecular FormulaC12H8F2O4
Molecular Weight254.19 g/mol
Exact Mass254.04
IUPAC Name3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(F)c(OCc2ccco2)c(F)c1
InChIInChI=1S/C12H8F2O4/c13-9-4-7(12(15)16)5-10(14)11(9)18-6-8-2-1-3-17-8/h1-5H,6H2,(H,15,16)
InChIKeyMXYGSBHWQSGBEP-UHFFFAOYSA-N
XLogP2.84
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 79887700
4-[(3-chlorophenyl)methoxy]-3,5-difluorobenzoic acid
CID 65124850
2-(furan-2-ylmethoxy)benzoic acid
CID 28604768
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
CID 107554648
4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorobenzoic acid
CID 79880846
3,5-difluoro-4-(3-fluoropropoxy)benzoic acid
CID 81105938
2-chloro-4-(furan-2-ylmethoxy)benzoic acid
CID 62946408
4-[(3-bromothiophen-2-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887626
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
CID 103288827
2-[(2,4,6-trichlorophenoxy)methyl]furan
CID 53443486
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029822
2-fluoro-2-(furan-2-ylmethoxy)acetic acid
CID 79357493

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid?
The IUPAC name of 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid (CID 63183787) is 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid?
The canonical SMILES for 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid is O=C(O)c1cc(F)c(OCc2ccco2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid?
The InChIKey is MXYGSBHWQSGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O4/c13-9-4-7(12(15)16)5-10(14)11(9)18-6-8-2-1-3-17-8/h1-5H,6H2,(H,15,16).
What are the key properties of 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid?
3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid has a molecular weight of 254.19 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 63183787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).