5,5,5-trifluoro-2,4,4-trimethylpent-1-ene

C8H13F3 — CID 162549843

IUPAC5,5,5-trifluoro-2,4,4-trimethylpent-1-ene
SMILESC=C(C)CC(C)(C)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-6(2)5-7(3,4)8(9,10)11/h1,5H2,2-4H3
InChIKeyCZUQFLDZNZPVQO-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.54
Rot. Bonds2

About 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene

5,5,5-trifluoro-2,4,4-trimethylpent-1-ene (PubChem CID 162549843) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-2,4,4-trimethylpent-1-ene
PubChem CID162549843
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name5,5,5-trifluoro-2,4,4-trimethylpent-1-ene
SMILESC=C(C)CC(C)(C)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-6(2)5-7(3,4)8(9,10)11/h1,5H2,2-4H3
InChIKeyCZUQFLDZNZPVQO-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene?
The IUPAC name of 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene (CID 162549843) is 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene is C=C(C)CC(C)(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene?
The InChIKey is CZUQFLDZNZPVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-6(2)5-7(3,4)8(9,10)11/h1,5H2,2-4H3.
What are the key properties of 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene?
5,5,5-trifluoro-2,4,4-trimethylpent-1-ene has a molecular weight of 166.19 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 162549843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).