2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid

C12H8F2O4 — CID 107432210

IUPAC2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C(O)c1cc(F)ccc1F
InChIInChI=1S/C12H8F2O4/c13-6-1-2-9(14)8(5-6)10(15)11-7(12(16)17)3-4-18-11/h1-5,10,15H,(H,16,17)
InChIKeyDLMFVRCEXQQHSF-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.34
Rot. Bonds3

About 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid

2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid (PubChem CID 107432210) has the molecular formula C12H8F2O4 and a molecular weight of 254.19 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
PubChem CID107432210
Molecular FormulaC12H8F2O4
Molecular Weight254.19 g/mol
Exact Mass254.04
IUPAC Name2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C(O)c1cc(F)ccc1F
InChIInChI=1S/C12H8F2O4/c13-6-1-2-9(14)8(5-6)10(15)11-7(12(16)17)3-4-18-11/h1-5,10,15H,(H,16,17)
InChIKeyDLMFVRCEXQQHSF-UHFFFAOYSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432639
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxylic acid
CID 107432177
(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol
CID 61087172
2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432484
2-[(2-chloro-3,4-dimethoxyphenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432216
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
(2,5-difluorophenyl)-thiophen-3-ylmethanol
CID 61099759
2-(1-hydroxy-3-methylbutyl)furan-3-carboxylic acid
CID 23503257
(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid (CID 107432210) is 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid is O=C(O)c1ccoc1C(O)c1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid?
The InChIKey is DLMFVRCEXQQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O4/c13-6-1-2-9(14)8(5-6)10(15)11-7(12(16)17)3-4-18-11/h1-5,10,15H,(H,16,17).
What are the key properties of 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid?
2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid has a molecular weight of 254.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid is sourced from PubChem (CID 107432210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).