2-methyl-3-(trifluoromethyl)hex-1-ene

C8H13F3 — CID 123486604

IUPAC2-methyl-3-(trifluoromethyl)hex-1-ene
SMILESC=C(C)C(CCC)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-4-5-7(6(2)3)8(9,10)11/h7H,2,4-5H2,1,3H3
InChIKeyFPMSOWCNJPHRJT-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-3-(trifluoromethyl)hex-1-ene

2-methyl-3-(trifluoromethyl)hex-1-ene (PubChem CID 123486604) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)hex-1-ene
PubChem CID123486604
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name2-methyl-3-(trifluoromethyl)hex-1-ene
SMILESC=C(C)C(CCC)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-4-5-7(6(2)3)8(9,10)11/h7H,2,4-5H2,1,3H3
InChIKeyFPMSOWCNJPHRJT-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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 2-methyl-3-(trifluoromethyl)hex-1-ene?
The IUPAC name of 2-methyl-3-(trifluoromethyl)hex-1-ene (CID 123486604) is 2-methyl-3-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)hex-1-ene is C=C(C)C(CCC)C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)hex-1-ene?
The InChIKey is FPMSOWCNJPHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-4-5-7(6(2)3)8(9,10)11/h7H,2,4-5H2,1,3H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)hex-1-ene?
2-methyl-3-(trifluoromethyl)hex-1-ene has a molecular weight of 166.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 123486604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).