1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol

C8H10F2O2 — CID 164899507

IUPAC1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol
SMILESOCC(O)C1(F)C=CC=CC1F
InChIInChI=1S/C8H10F2O2/c9-6-3-1-2-4-8(6,10)7(12)5-11/h1-4,6-7,11-12H,5H2
InChIKeyYQNZRAHOJVPGNW-UHFFFAOYSA-N
MW176.16 g/mol
LogP0.51
Rot. Bonds2

About 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol

1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol (PubChem CID 164899507) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol
PubChem CID164899507
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol
SMILESOCC(O)C1(F)C=CC=CC1F
InChIInChI=1S/C8H10F2O2/c9-6-3-1-2-4-8(6,10)7(12)5-11/h1-4,6-7,11-12H,5H2
InChIKeyYQNZRAHOJVPGNW-UHFFFAOYSA-N
XLogP0.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol?
The IUPAC name of 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol (CID 164899507) is 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol is OCC(O)C1(F)C=CC=CC1F.
What is the InChIKey of 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol?
The InChIKey is YQNZRAHOJVPGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c9-6-3-1-2-4-8(6,10)7(12)5-11/h1-4,6-7,11-12H,5H2.
What are the key properties of 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol?
1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol has a molecular weight of 176.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-difluorocyclohexa-2,4-dien-1-yl)ethane-1,2-diol is sourced from PubChem (CID 164899507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).