2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid

C12H8ClFO4 — CID 107432639

IUPAC2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C12H8ClFO4/c13-8-3-1-2-6(9(8)14)10(15)11-7(12(16)17)4-5-18-11/h1-5,10,15H,(H,16,17)
InChIKeySONKOOWIIJILAN-UHFFFAOYSA-N
MW270.64 g/mol
LogP2.85
Rot. Bonds3

About 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid

2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid (PubChem CID 107432639) has the molecular formula C12H8ClFO4 and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
PubChem CID107432639
Molecular FormulaC12H8ClFO4
Molecular Weight270.64 g/mol
Exact Mass270.01
IUPAC Name2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C12H8ClFO4/c13-8-3-1-2-6(9(8)14)10(15)11-7(12(16)17)4-5-18-11/h1-5,10,15H,(H,16,17)
InChIKeySONKOOWIIJILAN-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-difluorophenyl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432210
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-[(3-chloro-2-fluoroanilino)methyl]furan-3-carboxylic acid
CID 103236435
(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
CID 64713982
2-[(3-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432484
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 81266328
(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
CID 79595737
1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 64714519
(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
CID 114197501
4-(3-chloro-2-fluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 114488545
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid (CID 107432639) is 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid is O=C(O)c1ccoc1C(O)c1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid?
The InChIKey is SONKOOWIIJILAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO4/c13-8-3-1-2-6(9(8)14)10(15)11-7(12(16)17)4-5-18-11/h1-5,10,15H,(H,16,17).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid?
2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid has a molecular weight of 270.64 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)-hydroxymethyl]furan-3-carboxylic acid is sourced from PubChem (CID 107432639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).