2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol

C8H11FO — CID 173047309

IUPAC2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
SMILESOCCC1=CCCC(F)=C1
InChIInChI=1S/C8H11FO/c9-8-3-1-2-7(6-8)4-5-10/h2,6,10H,1,3-5H2
InChIKeyLBTPQJUHLLYJIX-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.94
Rot. Bonds2

About 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol

2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 173047309) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
PubChem CID173047309
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol
SMILESOCCC1=CCCC(F)=C1
InChIInChI=1S/C8H11FO/c9-8-3-1-2-7(6-8)4-5-10/h2,6,10H,1,3-5H2
InChIKeyLBTPQJUHLLYJIX-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol (CID 173047309) is 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol is OCCC1=CCCC(F)=C1.
What is the InChIKey of 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is LBTPQJUHLLYJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c9-8-3-1-2-7(6-8)4-5-10/h2,6,10H,1,3-5H2.
What are the key properties of 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol?
2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 142.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorocyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 173047309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).