1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene

C8H10F2O — CID 134437831

IUPAC1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene
SMILESCC1=CCCC(OC(F)F)=C1
InChIInChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h3,5,8H,2,4H2,1H3
InChIKeyVAIRURMSCXCMAV-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.85
Rot. Bonds2

About 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene

1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene (PubChem CID 134437831) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene
PubChem CID134437831
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene
SMILESCC1=CCCC(OC(F)F)=C1
InChIInChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h3,5,8H,2,4H2,1H3
InChIKeyVAIRURMSCXCMAV-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene?
The IUPAC name of 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene (CID 134437831) is 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene is CC1=CCCC(OC(F)F)=C1.
What is the InChIKey of 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene?
The InChIKey is VAIRURMSCXCMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-6-3-2-4-7(5-6)11-8(9)10/h3,5,8H,2,4H2,1H3.
What are the key properties of 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene?
1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 134437831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).