6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene

C10H10F6 — CID 130437764

IUPAC6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1(C)C=C(C(F)(F)F)C=CC1C(F)(F)F
InChIInChI=1S/C10H10F6/c1-8(2)5-6(9(11,12)13)3-4-7(8)10(14,15)16/h3-5,7H,1-2H3
InChIKeyZRKAMBLSELFPPG-UHFFFAOYSA-N
MW244.18 g/mol
LogP4.25
Rot. Bonds

About 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene

6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 130437764) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID130437764
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1(C)C=C(C(F)(F)F)C=CC1C(F)(F)F
InChIInChI=1S/C10H10F6/c1-8(2)5-6(9(11,12)13)3-4-7(8)10(14,15)16/h3-5,7H,1-2H3
InChIKeyZRKAMBLSELFPPG-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene (CID 130437764) is 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene is CC1(C)C=C(C(F)(F)F)C=CC1C(F)(F)F.
What is the InChIKey of 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is ZRKAMBLSELFPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6/c1-8(2)5-6(9(11,12)13)3-4-7(8)10(14,15)16/h3-5,7H,1-2H3.
What are the key properties of 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 244.18 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,5-bis(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 130437764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).