6,6,6-trifluoro-2,3-dimethylhex-2-ene

C8H13F3 — CID 88721812

IUPAC6,6,6-trifluoro-2,3-dimethylhex-2-ene
SMILESCC(C)=C(C)CCC(F)(F)F
InChIInChI=1S/C8H13F3/c1-6(2)7(3)4-5-8(9,10)11/h4-5H2,1-3H3
InChIKeyWFWAEJVGUGTQEE-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.69
Rot. Bonds2

About 6,6,6-trifluoro-2,3-dimethylhex-2-ene

6,6,6-trifluoro-2,3-dimethylhex-2-ene (PubChem CID 88721812) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 6,6,6-trifluoro-2,3-dimethylhex-2-ene.

Molecular Properties

Compound Name6,6,6-trifluoro-2,3-dimethylhex-2-ene
PubChem CID88721812
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name6,6,6-trifluoro-2,3-dimethylhex-2-ene
SMILESCC(C)=C(C)CCC(F)(F)F
InChIInChI=1S/C8H13F3/c1-6(2)7(3)4-5-8(9,10)11/h4-5H2,1-3H3
InChIKeyWFWAEJVGUGTQEE-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2,3-dimethylhex-2-ene?
The IUPAC name of 6,6,6-trifluoro-2,3-dimethylhex-2-ene (CID 88721812) is 6,6,6-trifluoro-2,3-dimethylhex-2-ene.
What is the SMILES notation for 6,6,6-trifluoro-2,3-dimethylhex-2-ene?
The canonical SMILES for 6,6,6-trifluoro-2,3-dimethylhex-2-ene is CC(C)=C(C)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2,3-dimethylhex-2-ene?
The InChIKey is WFWAEJVGUGTQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-6(2)7(3)4-5-8(9,10)11/h4-5H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2,3-dimethylhex-2-ene?
6,6,6-trifluoro-2,3-dimethylhex-2-ene has a molecular weight of 166.19 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2,3-dimethylhex-2-ene is sourced from PubChem (CID 88721812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).