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

C8H10F2O — CID 162613146

IUPAC2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
SMILESCC1=C(OC(F)F)C=CCC1
InChIInChI=1S/C8H10F2O/c1-6-4-2-3-5-7(6)11-8(9)10/h3,5,8H,2,4H2,1H3
InChIKeyRMTGJMASKSKPBX-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.85
Rot. Bonds2

About 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene

2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene (PubChem CID 162613146) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
PubChem CID162613146
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene
SMILESCC1=C(OC(F)F)C=CCC1
InChIInChI=1S/C8H10F2O/c1-6-4-2-3-5-7(6)11-8(9)10/h3,5,8H,2,4H2,1H3
InChIKeyRMTGJMASKSKPBX-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 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene (CID 162613146) is 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene is CC1=C(OC(F)F)C=CCC1.
What is the InChIKey of 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
The InChIKey is RMTGJMASKSKPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-6-4-2-3-5-7(6)11-8(9)10/h3,5,8H,2,4H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene?
2-(difluoromethoxy)-1-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 2-(difluoromethoxy)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 162613146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).