3-(2-chloro-6-fluorophenyl)furan-2,4-diol

C10H6ClFO3 — CID 117061781

IUPAC3-(2-chloro-6-fluorophenyl)furan-2,4-diol
SMILESOc1coc(O)c1-c1c(F)cccc1Cl
InChIInChI=1S/C10H6ClFO3/c11-5-2-1-3-6(12)8(5)9-7(13)4-15-10(9)14/h1-4,13-14H
InChIKeyGYZYUSBHQGWDRI-UHFFFAOYSA-N
MW228.61 g/mol
LogP3.15
Rot. Bonds1

About 3-(2-chloro-6-fluorophenyl)furan-2,4-diol

3-(2-chloro-6-fluorophenyl)furan-2,4-diol (PubChem CID 117061781) has the molecular formula C10H6ClFO3 and a molecular weight of 228.61 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)furan-2,4-diol.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)furan-2,4-diol
PubChem CID117061781
Molecular FormulaC10H6ClFO3
Molecular Weight228.61 g/mol
Exact Mass228.00
IUPAC Name3-(2-chloro-6-fluorophenyl)furan-2,4-diol
SMILESOc1coc(O)c1-c1c(F)cccc1Cl
InChIInChI=1S/C10H6ClFO3/c11-5-2-1-3-6(12)8(5)9-7(13)4-15-10(9)14/h1-4,13-14H
InChIKeyGYZYUSBHQGWDRI-UHFFFAOYSA-N
XLogP3.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)furan-2,4-diol?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)furan-2,4-diol (CID 117061781) is 3-(2-chloro-6-fluorophenyl)furan-2,4-diol.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)furan-2,4-diol?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)furan-2,4-diol is Oc1coc(O)c1-c1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)furan-2,4-diol?
The InChIKey is GYZYUSBHQGWDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFO3/c11-5-2-1-3-6(12)8(5)9-7(13)4-15-10(9)14/h1-4,13-14H.
What are the key properties of 3-(2-chloro-6-fluorophenyl)furan-2,4-diol?
3-(2-chloro-6-fluorophenyl)furan-2,4-diol has a molecular weight of 228.61 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)furan-2,4-diol is sourced from PubChem (CID 117061781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).