3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol

C7H8F2O2 — CID 67745008

IUPAC3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1(F)CC=C(F)C=C1O
InChIInChI=1S/C7H8F2O2/c1-11-7(9)3-2-5(8)4-6(7)10/h2,4,10H,3H2,1H3
InChIKeyFWEPPGUOCCVWSJ-UHFFFAOYSA-N
MW162.13 g/mol
LogP2.00
Rot. Bonds1

About 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol

3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 67745008) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol
PubChem CID67745008
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1(F)CC=C(F)C=C1O
InChIInChI=1S/C7H8F2O2/c1-11-7(9)3-2-5(8)4-6(7)10/h2,4,10H,3H2,1H3
InChIKeyFWEPPGUOCCVWSJ-UHFFFAOYSA-N
XLogP2.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol (CID 67745008) is 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol is COC1(F)CC=C(F)C=C1O.
What is the InChIKey of 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is FWEPPGUOCCVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c1-11-7(9)3-2-5(8)4-6(7)10/h2,4,10H,3H2,1H3.
What are the key properties of 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol?
3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 162.13 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-6-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67745008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).