5,5,5-trifluoro-3,4-dimethylpent-1-ene

C7H11F3 — CID 162565604

IUPAC5,5,5-trifluoro-3,4-dimethylpent-1-ene
SMILESC=CC(C)C(C)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-4-5(2)6(3)7(8,9)10/h4-6H,1H2,2-3H3
InChIKeyRIOLWVVOCYWGHR-UHFFFAOYSA-N
MW152.16 g/mol
LogP3.01
Rot. Bonds2

About 5,5,5-trifluoro-3,4-dimethylpent-1-ene

5,5,5-trifluoro-3,4-dimethylpent-1-ene (PubChem CID 162565604) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 5,5,5-trifluoro-3,4-dimethylpent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-3,4-dimethylpent-1-ene
PubChem CID162565604
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name5,5,5-trifluoro-3,4-dimethylpent-1-ene
SMILESC=CC(C)C(C)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-4-5(2)6(3)7(8,9)10/h4-6H,1H2,2-3H3
InChIKeyRIOLWVVOCYWGHR-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.01
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-3,4-dimethylpent-1-ene?
The IUPAC name of 5,5,5-trifluoro-3,4-dimethylpent-1-ene (CID 162565604) is 5,5,5-trifluoro-3,4-dimethylpent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-3,4-dimethylpent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-3,4-dimethylpent-1-ene is C=CC(C)C(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3,4-dimethylpent-1-ene?
The InChIKey is RIOLWVVOCYWGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-4-5(2)6(3)7(8,9)10/h4-6H,1H2,2-3H3.
What are the key properties of 5,5,5-trifluoro-3,4-dimethylpent-1-ene?
5,5,5-trifluoro-3,4-dimethylpent-1-ene has a molecular weight of 152.16 g/mol, XLogP of 3.01, 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-3,4-dimethylpent-1-ene is sourced from PubChem (CID 162565604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).