6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol

C8H9FO5 — CID 143545076

IUPAC6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol
SMILESCC(F)c1c(O)c(O)c(O)c(O)c1O
InChIInChI=1S/C8H9FO5/c1-2(9)3-4(10)6(12)8(14)7(13)5(3)11/h2,10-14H,1H3
InChIKeyHHZWHIRVSJTJQC-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.25
Rot. Bonds1

About 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol

6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol (PubChem CID 143545076) has the molecular formula C8H9FO5 and a molecular weight of 204.15 g/mol. Its IUPAC name is 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol
PubChem CID143545076
Molecular FormulaC8H9FO5
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol
SMILESCC(F)c1c(O)c(O)c(O)c(O)c1O
InChIInChI=1S/C8H9FO5/c1-2(9)3-4(10)6(12)8(14)7(13)5(3)11/h2,10-14H,1H3
InChIKeyHHZWHIRVSJTJQC-UHFFFAOYSA-N
XLogP1.25
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol (CID 143545076) is 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol is CC(F)c1c(O)c(O)c(O)c(O)c1O.
What is the InChIKey of 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol?
The InChIKey is HHZWHIRVSJTJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO5/c1-2(9)3-4(10)6(12)8(14)7(13)5(3)11/h2,10-14H,1H3.
What are the key properties of 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol?
6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol has a molecular weight of 204.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 143545076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).