2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol

C8H10F2O — CID 175882443

IUPAC2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol
SMILESOCCC1=CCC(F)(F)C=C1
InChIInChI=1S/C8H10F2O/c9-8(10)4-1-7(2-5-8)3-6-11/h1-2,4,11H,3,5-6H2
InChIKeyHFQLJIMZOPVREV-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.89
Rot. Bonds2

About 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol

2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 175882443) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol
PubChem CID175882443
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol
SMILESOCCC1=CCC(F)(F)C=C1
InChIInChI=1S/C8H10F2O/c9-8(10)4-1-7(2-5-8)3-6-11/h1-2,4,11H,3,5-6H2
InChIKeyHFQLJIMZOPVREV-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol (CID 175882443) is 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol is OCCC1=CCC(F)(F)C=C1.
What is the InChIKey of 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is HFQLJIMZOPVREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c9-8(10)4-1-7(2-5-8)3-6-11/h1-2,4,11H,3,5-6H2.
What are the key properties of 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol?
2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 160.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 175882443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).