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

C7H8F2O — CID 18363256

IUPAC2-(difluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)OC1=CCCC=C1
InChIInChI=1S/C7H8F2O/c8-7(9)10-6-4-2-1-3-5-6/h2,4-5,7H,1,3H2
InChIKeySSGOAYPSDGZULH-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.46
Rot. Bonds2

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

2-(difluoromethoxy)cyclohexa-1,3-diene (PubChem CID 18363256) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-(difluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(difluoromethoxy)cyclohexa-1,3-diene
PubChem CID18363256
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name2-(difluoromethoxy)cyclohexa-1,3-diene
SMILESFC(F)OC1=CCCC=C1
InChIInChI=1S/C7H8F2O/c8-7(9)10-6-4-2-1-3-5-6/h2,4-5,7H,1,3H2
InChIKeySSGOAYPSDGZULH-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 2-(difluoromethoxy)cyclohexa-1,3-diene (CID 18363256) is 2-(difluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(difluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2-(difluoromethoxy)cyclohexa-1,3-diene is FC(F)OC1=CCCC=C1.
What is the InChIKey of 2-(difluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is SSGOAYPSDGZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c8-7(9)10-6-4-2-1-3-5-6/h2,4-5,7H,1,3H2.
What are the key properties of 2-(difluoromethoxy)cyclohexa-1,3-diene?
2-(difluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 146.14 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 18363256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).