6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene

C11H16F2O — CID 175192259

IUPAC6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene
SMILESCC(C)(C)C1C=C(OC(F)F)C=CC1
InChIInChI=1S/C11H16F2O/c1-11(2,3)8-5-4-6-9(7-8)14-10(12)13/h4,6-8,10H,5H2,1-3H3
InChIKeyGEEPZSJWJGFGMY-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.73
Rot. Bonds2

About 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene

6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene (PubChem CID 175192259) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene
PubChem CID175192259
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene
SMILESCC(C)(C)C1C=C(OC(F)F)C=CC1
InChIInChI=1S/C11H16F2O/c1-11(2,3)8-5-4-6-9(7-8)14-10(12)13/h4,6-8,10H,5H2,1-3H3
InChIKeyGEEPZSJWJGFGMY-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene (CID 175192259) is 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene is CC(C)(C)C1C=C(OC(F)F)C=CC1.
What is the InChIKey of 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is GEEPZSJWJGFGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-11(2,3)8-5-4-6-9(7-8)14-10(12)13/h4,6-8,10H,5H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene?
6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 202.24 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(difluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 175192259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).