1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene

C8H5F5O — CID 158881050

IUPAC1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESC=C1C=C(F)C(OC(F)(F)F)=C(F)C1
InChIInChI=1S/C8H5F5O/c1-4-2-5(9)7(6(10)3-4)14-8(11,12)13/h2H,1,3H2
InChIKeyJDAKFEHGRYIAKR-UHFFFAOYSA-N
MW212.12 g/mol
LogP3.52
Rot. Bonds1

About 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene

1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 158881050) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID158881050
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESC=C1C=C(F)C(OC(F)(F)F)=C(F)C1
InChIInChI=1S/C8H5F5O/c1-4-2-5(9)7(6(10)3-4)14-8(11,12)13/h2H,1,3H2
InChIKeyJDAKFEHGRYIAKR-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene (CID 158881050) is 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene is C=C1C=C(F)C(OC(F)(F)F)=C(F)C1.
What is the InChIKey of 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is JDAKFEHGRYIAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c1-4-2-5(9)7(6(10)3-4)14-8(11,12)13/h2H,1,3H2.
What are the key properties of 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene?
1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 212.12 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 158881050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).