5,5-dimethyl-2-(trifluoromethyl)hex-1-ene

C9H15F3 — CID 58514181

IUPAC5,5-dimethyl-2-(trifluoromethyl)hex-1-ene
SMILESC=C(CCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3/c1-7(9(10,11)12)5-6-8(2,3)4/h1,5-6H2,2-4H3
InChIKeyIZWVIFKGMBJFRV-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.93
Rot. Bonds2

About 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene

5,5-dimethyl-2-(trifluoromethyl)hex-1-ene (PubChem CID 58514181) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name5,5-dimethyl-2-(trifluoromethyl)hex-1-ene
PubChem CID58514181
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name5,5-dimethyl-2-(trifluoromethyl)hex-1-ene
SMILESC=C(CCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3/c1-7(9(10,11)12)5-6-8(2,3)4/h1,5-6H2,2-4H3
InChIKeyIZWVIFKGMBJFRV-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.93
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-dimethyl-2-(trifluoromethyl)hex-1-ene?
The IUPAC name of 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene (CID 58514181) is 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene is C=C(CCC(C)(C)C)C(F)(F)F.
What is the InChIKey of 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene?
The InChIKey is IZWVIFKGMBJFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c1-7(9(10,11)12)5-6-8(2,3)4/h1,5-6H2,2-4H3.
What are the key properties of 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene?
5,5-dimethyl-2-(trifluoromethyl)hex-1-ene has a molecular weight of 180.21 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 58514181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).