2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol

C7H8F2O — CID 67121662

IUPAC2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC(F)=C(O)C(F)C1
InChIInChI=1S/C7H8F2O/c1-4-2-5(8)7(10)6(9)3-4/h2,6,10H,3H2,1H3
InChIKeyGLHKRECCVDCJML-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.41
Rot. Bonds

About 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol

2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 67121662) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol
PubChem CID67121662
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CC(F)=C(O)C(F)C1
InChIInChI=1S/C7H8F2O/c1-4-2-5(8)7(10)6(9)3-4/h2,6,10H,3H2,1H3
InChIKeyGLHKRECCVDCJML-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol (CID 67121662) is 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol is CC1=CC(F)=C(O)C(F)C1.
What is the InChIKey of 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is GLHKRECCVDCJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c1-4-2-5(8)7(10)6(9)3-4/h2,6,10H,3H2,1H3.
What are the key properties of 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol?
2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 146.14 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67121662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).