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

C7H11F3 — CID 13379970

IUPAC5,5,5-trifluoro-2,4-dimethylpent-1-ene
SMILESC=C(C)CC(C)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-5(2)4-6(3)7(8,9)10/h6H,1,4H2,2-3H3
InChIKeyNJMMEENCKQWOAW-UHFFFAOYSA-N
MW152.16 g/mol
LogP3.15
Rot. Bonds2

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

5,5,5-trifluoro-2,4-dimethylpent-1-ene (PubChem CID 13379970) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 5,5,5-trifluoro-2,4-dimethylpent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-2,4-dimethylpent-1-ene
PubChem CID13379970
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name5,5,5-trifluoro-2,4-dimethylpent-1-ene
SMILESC=C(C)CC(C)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-5(2)4-6(3)7(8,9)10/h6H,1,4H2,2-3H3
InChIKeyNJMMEENCKQWOAW-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-dimethylpent-1-ene?
The IUPAC name of 5,5,5-trifluoro-2,4-dimethylpent-1-ene (CID 13379970) is 5,5,5-trifluoro-2,4-dimethylpent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-2,4-dimethylpent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-2,4-dimethylpent-1-ene is C=C(C)CC(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2,4-dimethylpent-1-ene?
The InChIKey is NJMMEENCKQWOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-5(2)4-6(3)7(8,9)10/h6H,1,4H2,2-3H3.
What are the key properties of 5,5,5-trifluoro-2,4-dimethylpent-1-ene?
5,5,5-trifluoro-2,4-dimethylpent-1-ene has a molecular weight of 152.16 g/mol, XLogP of 3.15, 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-dimethylpent-1-ene is sourced from PubChem (CID 13379970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).